Parallel Visualization of Petascale Simulation Results from GROMACS, NAMD and CP2K on IBM Blue Gene/P using VisIt Visualization Toolkit

Visualization is a key post-processing activity for petaflops simulations. In this paper we have researched, identified and implemented a methodology suitable for carrying out this activity, based on the VisIt open-source visualization tool by LLNL. We have installed the toolkit on a specialized hardware in NCSA's Tier-1 facilities in Sofia, integrating it with our primary Tier-1 system, an IBM Blue Gene/P. We have researched the possibility to support GROMACS, CP2K and NAMD data formats and proposed best practice procedures. The experience and methodology is documented and can be used to integrate the tools into other PRACE facilities.