Applying High-performance Computing to Petascale Explosive Simulations

Hazardous scenarios involving explosives are difficult to experimentally study and simulation is often the only viable approach to study highly reactive phenomena. Explosive simulations are computationally expensive, requiring supercomputing resources for continued scientific discovery in the field. Here an idealized mesoscale simulation of explosive grains under mechanical insult by a high-speed projectile with reaction represented by a novel kinetic model is designed to test the scalability of the Uintah software on petascale supercomputers. Good scalability is found up to 49K processors. Timing breakdown of compu- tational tasks are determined with relocation of Lagrangian particles and interpolation of those particles to the grid identified as the most expensive operation and ideal for optimization. Potential optimization strategies are identified. Realistic model simulations rather than toy model simulations are found to better represent scalability of a science code on a supercomputer. Estimations for total supercomputer hours necessary to complete the kinetic model validation study are reported.