Scalable molecular dynamics with NAMD

JC Phillips, R Braun, W Wang… - Journal of …, 2005 - Wiley Online Library
NAMD is a parallel molecular dynamics code designed for high‐performance simulation of
large biomolecular systems. NAMD scales to hundreds of processors on high‐end parallel …

[图书][B] Parallel science and engineering applications: The Charm++ approach

LV Kale, A Bhatele - 2016 - books.google.com
This book highlights the use of Charm++ in a wide variety of scientific and engineering
fields. It emphasizes the adaptivity, asynchrony, and message-driven execution of Charm++ …

[PDF][PDF] The Charm++ Programming Model.

LV Kalé, G Zheng - 2013 - cs.umd.edu
Charm++[131] is a C++ based parallel programming system developed at the University of
Illinois. It has been designed and refined in the context of collaborative development of …

Optimizing an MPI weather forecasting model via processor virtualization

ER Rodrigues, POA Navaux, J Panetta… - … Conference on High …, 2010 - ieeexplore.ieee.org
Weather forecasting models are computationally intensive applications. These models are
typically executed in parallel machines and a major obstacle for their scalability is load …

[PDF][PDF] OpenAtom: Ab initio Molecular Dynamics for Petascale Platforms

GJ Martyna, EJ Bohm, R Venkataraman, A Arya… - 2012 - osti.gov
OpenAtom: Ab initio Molecular Dynamics for Petascale Platforms Page 1 LLNL-BOOK-608553
OpenAtom: Ab initio Molecular Dynamics for Petascale Platforms GJ Martyna, EJ Bohm, R …

The Charm++ Approach

LV Kale, A Bhatele - api.taylorfrancis.com
Parallel computing, which started as a field from the early days of computing with systems
such as ILLIAC IV, and became more widespread in the late 1980s with hypercubes …

[PDF][PDF] Creating and Operating a Grid Infrastructure: Use Case from Latin America

B MARECHAL, D CARVALHO, L CIUFFO… - IST-Africa 2008 …, 2008 - researchgate.net
The EELA (E-infrastructure shared between Europe and Latin America) project, co-funded
by the European Commission, aimed at building a bridge between consolidated e …