Nov 12, 2017 · We study the scalability challenges of time- and space-shared modes of analyzing large-scale molecular dynamics simulations. We also propose ...
ABSTRACT. Analysis of scientific simulation data enables scientists to glean in- sight from simulations. In situ analysis, which can be simultaneously.
In situ analysis, which can be simultaneously executed with the simulation, mitigates I/O bottlenecks and can accelerate discovery of new phenomena. However, in ...
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This work studies the scalability challenges of time- and space-shared modes of analyzing large-scale molecular dynamics simulations and proposes ...
We study the scalability challenges of time- and space-shared modes of analyzing large-scale molecular dynamics simulations. We also propose topology-aware ...
Preeti Malakar, Christopher Knight, Todd S. Munson, Venkatram Vishwanath, Michael E. Papka : Scalable In situ Analysis of Molecular Dynamics Simulations.
Aug 24, 2017 · These simulations produce enormous output data which is stored and analyzed to understand the simulated phenomena. Analysis enables scientists ...
Abstract—Molecular Dynamics (MD) simulations executed on state-of-the-art supercomputers are producing data at rates faster.
RXMD is a parallel reactive molecular dynamics (RMD) simulator designed to perform large-scale RMD simulations on commodity laptop computers to supercomputer ...
We present a system for interactive in situ visualization of large particle simulations, suit- able for general CPU-based HPC architectures.