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HPCS
2007
IEEE
13 years 11 months ago
Utilizing Averaged Configuations from Molecular Dynamics Simulation Trajectories
One of the challenges in the large-scale simulations required for many molecular systems (such as those of biological interested) is the recording, monitoring and visualization of...
Peter G. Kusalik, K. Gillis, J. Vatamanu
PPOPP
2006
ACM
13 years 11 months ago
On-line automated performance diagnosis on thousands of processes
Performance analysis tools are critical for the effective use of large parallel computing resources, but existing tools have failed to address three problems that limit their scal...
Philip C. Roth, Barton P. Miller