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cs.DC2019★ 3 cited
Parallel Performance of Molecular Dynamics Trajectory Analysis
Mahzad Khoshlessan, Ioannis Paraskevakos, Geoffrey C. Fox +2
The performance of biomolecular molecular dynamics simulations has steadily increased on modern high performance computing resources but acceleration of the analysis of the output…
cs.DC2018
Task-parallel Analysis of Molecular Dynamics Trajectories
Ioannis Paraskevakos, Andre Luckow, Mahzad Khoshlessan +5
Different parallel frameworks for implementing data analysis applications have been proposed by the HPC and Big Data communities. In this paper, we investigate three task-parallel…