1 code implementation • 28 Jun 2019 • Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox, Shantenu Jha, Oliver Beckstein
The performance of biomolecular molecular dynamics simulations has steadily increased on modern high performance computing resources but acceleration of the analysis of the output trajectories has lagged behind so that analyzing simulations is becoming a bottleneck.
Distributed, Parallel, and Cluster Computing Quantitative Methods D.1.3; J.2
1 code implementation • 23 Jan 2018 • Ioannis Paraskevakos, Andre Luckow, Mahzad Khoshlessan, George Chantzialexiou, Thomas E. Cheatham, Oliver Beckstein, Geoffrey C. Fox, Shantenu Jha
We also provide a quantitative performance analysis of the different algorithms across the three frameworks.
Distributed, Parallel, and Cluster Computing
no code implementations • 31 Jan 2016 • Andre Luckow, Ioannis Paraskevakos, George Chantzialexiou, Shantenu Jha
High-performance computing platforms such as supercomputers have traditionally been designed to meet the compute demands of scientific applications.
Distributed, Parallel, and Cluster Computing
