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Perf: Optimize Davidson by fusing operators, offloading CPU computation to GPU, and reducing memory transfers #12499

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Perf: Optimize Davidson by fusing operators, offloading CPU computation to GPU, and reducing memory transfers

Perf: Optimize Davidson by fusing operators, offloading CPU computation to GPU, and reducing memory transfers #12499

Run time

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Job Run time
Build with GNU toolchain
8m 36s
Build without MPI
6m 43s
Build with Intel toolchain
8m 8s
Build with CUDA support
18m 3s
Build without LCAO and MPI
4m 13s
Build without LCAO
5m 49s
Build without ELPA
8m 52s
Build extra components with GNU toolchain
12m 8s
Build extra components with Intel toolchain
19m 16s
1h 31m 48s