Flexible In Situ Visualization of LAMMPS Simulations
Workshop: ISAV 2017: In Situ Infrastructures for Enabling Extreme-Scale Analysis and Visualization
Authors: Will Usher (University of Utah)
Abstract: As simulations grow in scale, the need for in situ analysis methods to handle the large data produced grows correspondingly. Often, however, these methods are not interactive and are run as batch computations alongside the simulation, hampering exploratory analysis. In this work, we discuss a prototype integration of an interactive OSPRay based particle viewer with LAMMPS, via our communication library libIS, to implement an exploratory in situ analysis tool. The flexible design allows for running the viewer and simulation across the spectrum of in situ proximity configurations transparently. We use the SENSEI in situ interface to communicate data from LAMMPS to libIS and demonstrate our prototype system in different configurations on the Theta and Stampede 2 supercomputers using LAMMPS benchmarks.