Coupling LAMMPS and the vl3 Framework for Co-Visualization of Atomistic Simulations
In this work we perform in-situ visualization of molecular dynamics simulations, which can help scientists to visualize simulation output on-the-fly, without incurring storage overheads. We present a case study to couple LAMMPS, the large-scale molecular dynamics simulation code with vl3, our parallel framework for large-scale visualization and analysis. Our motivation is to identify effective approaches for covisualization and exploration of large-scale atomistic simulations at interactive frame rates.We propose a system of coupled libraries and describe its architecture, with an implementation that runs on GPU-based clusters. We present the results of strong and weak scalability experiments, as well as future research avenues based on our results.
- Research Organization:
- Argonne National Lab. (ANL), Argonne, IL (United States)
- Sponsoring Organization:
- USDOE Office of Science - Office of Advanced Scientific Computing Research
- DOE Contract Number:
- AC02-06CH11357
- OSTI ID:
- 1335898
- Resource Relation:
- Conference: 30th IEEE International Parallel and Distributed Processing Symposium, 05/23/16 - 05/27/16, Chicago, IL, US
- Country of Publication:
- United States
- Language:
- English
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