Simulating Solidification in Metals at High Pressure: The Drive to Petascale Computing
We investigate solidification in metal systems ranging in size from 64,000 to 524,288,000 atoms on the IBM BlueGene/L computer at LLNL. Using the newly developed ddcMD code, we achieve performance rates as high as 103 TFlops, with a performance of 101.7 TFlop sustained over a 7 hour run on 131,072 cpus. We demonstrate superb strong and weak scaling. Our calculations are significant as they represent the first atomic-scale model of metal solidification to proceed, without finite size effects, from spontaneous nucleation and growth of solid out of the liquid, through the coalescence phase, and into the onset of coarsening. Thus, our simulations represent the first step towards an atomistic model of nucleation and growth that can directly link atomistic to mesoscopic length scales.
- Research Organization:
- Lawrence Livermore National Lab. (LLNL), Livermore, CA (United States)
- Sponsoring Organization:
- USDOE
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 898463
- Report Number(s):
- UCRL-CONF-223218; TRN: US0701654
- Resource Relation:
- Journal Volume: 46; Conference: Presented at: SciDAC 2006, Denver, CO, United States, Jun 25 - Jun 29, 2006
- Country of Publication:
- United States
- Language:
- English
Similar Records
Keeping an Eye on the Prize
BlueGene/L Applications: Parallelism on a Massive Scale