DFT Pro is optimized for NVIDIA A100/H100 GPUs and AMD MI-series accelerators. By using custom CUDA kernels for FFTs (Fast Fourier Transforms), the team achieves a 10x speedup in the evaluation of the electrostatic potential.
One of the reasons the Global Cracking Team is highly regarded is their mastery of device communication modes. DFT Pro excels in: Global Cracking Team Dft Pro