Name
Title | ||
|---|---|---|
Efficient Ab-Initio Molecular Dynamic Simulations by Offloading Fast Fourier Transformations to FPGAs |
Abstract | ||
|---|---|---|
A large share of today's HPC workloads is used for Ab-Initio Molecular Dynamics (AIMD) simulations, where the interatomic forces are computed on-the-fly by means of accurate electronic structure calculations. They are computationally intensive and thus constitute an interesting application class for energy-efficient hardware accelerators such as FPGAs. In this paper, we investigate the potential of offloading 3D Fast Fourier Transformations (FFTs) as a critical routine of plane-wave-based electronic structure calculations to FPGA and in conjunction demonstrate the tolerance of these simulations to lower precision computations. |
Year | DOI | Venue |
|---|---|---|
2020 | 10.1109/FPL50879.2020.00065 | 2020 30th International Conference on Field-Programmable Logic and Applications (FPL) |
Keywords | DocType | ISBN |
FPGA,FFT,CP2K,OpenCL,molecular dynamics simulation | Conference | 978-1-7281-9902-3 |
Citations | PageRank | References |
0 | 0.34 | 0 |
Authors | ||
4 | ||
Name | Order | Citations | PageRank |
|---|---|---|---|
| Ramaswami Arjun | 1 | 0 | 0.34 |
| Tobias Kenter | 2 | 13 | 6.07 |
| Thomas D. Kühne | 3 | 2 | 3.42 |
| Christian Plessl | 4 | 297 | 35.98 |