Multi-GPU Accelerated Large Scale Electronic Structure Calculations
Multi-GPU Accelerated Large Scale Electronic Structure Calculations
Multi-GPU Accelerated Large Scale Electronic Structure Calculations
You also want an ePaper? Increase the reach of your titles
YUMPU automatically turns print PDFs into web optimized ePapers that Google loves.
Output Bandwidth (Mpoints/s)<br />
Output Bandwidth (Mpoints/s)<br />
Output Bandwidth (Mpoints/s)<br />
Output Bandwidth (Mpoints/s)<br />
Stencil Operations<br />
• Process the grid slice-by-slice<br />
• <strong>Calculations</strong> perfomed using combination of registers and<br />
shared memory<br />
• Parallelized over grid points<br />
• Supports real, complex and periodic grids<br />
• Speed-ups on large grids with Fermi 27-54x and with<br />
Kepler 37-103x<br />
3rd Order FD Kernel<br />
2500<br />
2000<br />
1500<br />
1000<br />
500<br />
0<br />
40x<br />
0 100 200 300<br />
Grid Size (NxNxN)<br />
47x<br />
Xeon X5650<br />
Fermi M2070<br />
Tesla K20c<br />
Interpolation Kernel<br />
10000<br />
8000<br />
6000<br />
4000<br />
2000<br />
0<br />
Xeon X5650<br />
Fermi M2070<br />
Kepler K20c<br />
54x<br />
0 50 100 150<br />
Grid Size (NxNxN)<br />
103x<br />
Restriction Kernel<br />
1200<br />
1000<br />
800<br />
600<br />
400<br />
200<br />
0<br />
Xeon X5650<br />
Fermi M2070<br />
Kepler K20c<br />
30x<br />
0 100 200 300<br />
Grid Size (NxNxN)<br />
44x<br />
Jacobi Relaxation Kernel<br />
2000<br />
1500<br />
1000<br />
500<br />
0<br />
27x<br />
0 100 200 300<br />
Grid Size (NxNxN)<br />
37x<br />
Xeon X5650<br />
Fermi M2070<br />
Kepler K20c
Change language