| About this Abstract |
| Meeting |
2021 TMS Annual Meeting & Exhibition
|
| Symposium
|
Algorithm Development in Materials Science and Engineering
|
| Presentation Title |
Exascale-motivated Algorithm Development for Nano and Mesoscale Materials Methods |
| Author(s) |
Sam Reeve, Matthew Rolchigo, Jim Belak |
| On-Site Speaker (Planned) |
Sam Reeve |
| Abstract Scope |
With exascale computing on the horizon, new hardware and software are enabling simulations across all materials simulation methods. The ability to fully leverage these machines requires significant redesign of algorithms (mainly for GPUs), but has also increasingly required performance portability such that codes work across hardware. We describe the materials-relevant, algorithm-driven efforts of two parts of the Exascale Computing Project: CoPA for particle applications and ExaAM for additive manufacturing. These efforts span scales and physical processes, from the nanoscale with both quantum mechanical (QM) and classical molecular dynamics (MD), to mesoscale methods including particle-in-cell (PIC) for structural mechanics and cellular automata (CA) for microstructure evolution. Across the methods, emphasis has been placed on development of software libraries (for separation of concerns from the materials scientist), leveraging hardware vendor libraries and the Kokkos programming model. Other major themes include methods for adoption of portability libraries and to reduce communication. |
| Proceedings Inclusion? |
Planned: |
| Keywords |
Modeling and Simulation, |