MMSP Presentation at Hackathon 1

Transcript

1. MMSP Hackathon Results Trevor Keller, Jason Gruber∗, and Jonathan Guyer Materials Science and Engineering Division National Institute of Standards and Technology Gaithersburg, MD 20899 ∗ (not from NIST) CHiMaD Phase Field Methods Hackathon \\ Workshop Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 1 / 61
2. Simulation Software: MMSP Mesoscale Microstructure Simulation Project (github.com/mesoscale), created by Jason Gruber: templated classes in C++ for integrating parabolic PDEs. Now co-developed. Key features include: Grid class in arbitrary dimensions with parallel domain decomposition and communication using MPI Vector class, common format for mul- tiple scalar fields (φ,c,T) φ0 0 φ1 0 φ2 0 φ4 0 φ7 0 φ3 0.5 φ5 0.3 φ6 0.2 ··· Sparse vector class, storing the key- value pairs. Efficient access for multiorder-parameter models. 3 0.5 5 0.3 6 0.2 Gruber, Modell. Simul. Mater. Sci. Eng. 14 (2006) 1189. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 2 / 61
3. MMSP Examples beginners_diffusion coarsening grain_growth ostwald_ripening zener_pinning differential_equations elliptic stiff phase_transitions allen-cahn cahn-hilliard model_A model_B spinodal solidification anisotropic eutectic statistical_mechanics Heisenberg ising Potts Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 3 / 61
4. Hardware Code was executed remotely on an 8-socket Opteron workstation: 64 cores at 3GHz and with 256GB RAM. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 4 / 61
5. 1. Spinodal Decomposition Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 5 / 61
6. Code, using q = (0.1 2,0.1 3) Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 6 / 61
7. 1A: Energy Spinodal decomposition with periodic boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 7 / 61
8. 1A: Init ∆t = 0.005 → CFL = 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 8 / 61
9. 1A: Evolution, 250k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 9 / 61
10. 1A: Evolution, 500k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 10 / 61
11. 1A: Evolution, 750k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 11 / 61
12. 1A: Evolution, 1000k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 12 / 61
13. 1A: Evolution, 1250k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 13 / 61
14. 1A: Evolution, 1500k∆t Runtime to steady state: 1 hour (wall), 64 CPU-hours. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 14 / 61
15. 1B: Energy Spinodal decomposition with Neumann boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 15 / 61
16. 1B: Init ∆t = 0.005 → CFL = 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 16 / 61
17. 1B: Evolution, 250k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 17 / 61
18. 1B: Evolution, 500k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 18 / 61
19. 1B: Evolution, 750k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 19 / 61
20. 1B: Evolution, 1000k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 20 / 61
21. 1B: Evolution, 1250k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 21 / 61
22. 1B: Evolution, 1500k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 22 / 61
23. 1B: Evolution, 1750k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 23 / 61
24. 1B: Evolution, 2000k∆t Runtime to steady state: 80 minutes (wall), 85 CPU-hours. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 24 / 61
25. 1C: Code Spinodal decomposition on T-square domain with Neumann boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 25 / 61
26. 1C: Energy Spinodal decomposition on T-square domain with Neumann boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 26 / 61
27. 1C: Init ∆t = 0.005 → CFL = 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 27 / 61
28. 1C: Evolution, 100∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 28 / 61
29. 1C: Evolution, 200∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 29 / 61
30. 1C: Evolution, 300∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 30 / 61
31. 1C: Evolution, 400k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 31 / 61
32. 1C: Evolution, 500k∆t Runtime to steady state: 9 minutes (wall), 10 CPU-hours. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 32 / 61
33. 1D: Sphere Rectilinear grids, only: spherical geometries are not accessible to MMSP. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 33 / 61
34. 1E: Energy Spinodal decomposition with periodic boundary conditions, refined grid Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 34 / 61
35. 1A: Init ∆t = 0.001 → CFL ≈ 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 35 / 61
36. 1E: Evolution, 1000k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 36 / 61
37. 1E: Evolution, 2000k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 37 / 61
38. 1E: Evolution, 3000k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 38 / 61
39. 1E: Evolution, 4000k∆t Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 39 / 61
40. 1E: Evolution, 5000k∆t Runtime to steady state: unknown. 5 million steps took 7 hours (wall). Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 40 / 61
41. 2. Ostwald ripening Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 41 / 61
42. Code, using q = ( 2, 3), qi = (0.01 23+i,0.01 149+i) Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 42 / 61
43. 2A: Energy Ostwald ripening with periodic boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 43 / 61
44. 2A: Initial Condition concentration magnitude of order ∆t = 0.005 → CFL = 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 44 / 61
45. 2A: Evolution, 20k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 45 / 61
46. 2A: Evolution, 50k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 46 / 61
47. 2A: Evolution, 100k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 47 / 61
48. 2A: Evolution, 150k∆t concentration magnitude of order Runtime to steady state: 174 minutes (wall), 185 CPU-hours. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 48 / 61
49. 2B: Energy Ostwald ripening with Neumann boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 49 / 61
50. 2B: Initial Condition concentration magnitude of order ∆t = 0.005 → CFL = 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 50 / 61
51. 2B: Evolution, 20k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 51 / 61
52. 2B: Evolution, 50k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 52 / 61
53. 2B: Evolution, 100k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 53 / 61
54. 2B: Evolution, 150k∆t concentration magnitude of order Runtime to steady state: 181 minutes (wall), 193 CPU-hours. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 54 / 61
55. 2C: Energy Ostwald ripening with Neumann boundary conditions Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 55 / 61
56. 2C: Initial Condition concentration magnitude of order ∆t = 0.005 → CFL = 0.01 Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 56 / 61
57. 2C: Evolution, 20k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 57 / 61
58. 2C: Evolution, 50k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 58 / 61
59. 2C: Evolution, 100k∆t concentration magnitude of order Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 59 / 61
60. 2C: Evolution, 150k∆t concentration magnitude of order Runtime to steady state: 114 minutes (wall), 122 CPU-hours. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 60 / 61
61. 2D: Sphere Rectilinear grids, only: spherical geometries are not accessible to MMSP. Trevor Keller (NIST MSED) MMSP Hackathon Results CHiMaD PFM Workshop 61 / 61