Implementing molecular dynamics on hybrid high performance computers - short range forces

By W. M. Brown, Peng Wang, S. Plimpton, Arnold N. Tharrington. Computer Physics Communications, 2011

660 citations recorded by the source corpus.

Subfields: Computer Networks and Communications, Hardware and Architecture, Nuclear and High Energy Physics

View Paper: https://www.semanticscholar.org/paper/66cda5050dbf8f8cdce670f36a49cfbaa13abd64

How researchers see this paper

The researchers whose trusted networks rank it highest, strongest advocate first. Every researcher gets a different order.

In Computer Networks and Communications

1. Szilárd Páll

In Hardware and Architecture

1. Szilárd Páll
2. Daniel M. Zuckerman
3. Lillian T. Chong

Citations in the corpus

• SPFP: Speed without compromise - A mixed precision model for GPU accelerated molecular dynamics simulations (2013, background): “…of scientific applications has long been realized [2] [3] and mature implementations are available for molecular dynamics (MD) simulations of condensed phase biomolecular systems providing capabilities to researchers that can surpass traditional CPU-based implementations [4] [5] [6] [7] [8] [9].”
• Tackling Exascale Software Challenges in Molecular Dynamics Simulations with GROMACS (2015, result): “These algorithmic design choices and the extensive performance tuning led to strongly instruction-latency bound CUDA non-bonded kernels, in contrast to most traditional particle-based GPU algorithms which are reported to be memory bound 4,9 .”