FusionRCG uses liveness-aware graph orchestration, Cartesian-to-spherical fusion, and multi-tier kernels to cut intermediate data by up to 7.7x and deliver 3.09x SCF speedup on A100 GPUs.
LibintX: High-performance library for scalable molecular integral evaluation
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FusionRCG: Orchestrating Recursive Computation Graphs across GPU Memory Hierarchies
FusionRCG uses liveness-aware graph orchestration, Cartesian-to-spherical fusion, and multi-tier kernels to cut intermediate data by up to 7.7x and deliver 3.09x SCF speedup on A100 GPUs.