Ying Liu

HIP-DFPT: Scalable Optimization of Irregular Workloads in Quantum Perturbation on GPU Clusters

Irregular workloads challenge GPUs with small tasks, unpredictable branching, and uneven load distribution. Quantum perturbation theory and Density Functional Theory (DFT) represent a prominent example, where such irregular patterns arise in large-scale simulations of materials and molecules. Despite recent efforts to...