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Fix: preserve exact-origin spherical harmonics in GPU Gint (Useful Information to print out exactly the same numbers with both CPU and GPU) #17693

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Fix: preserve exact-origin spherical harmonics in GPU Gint (Useful Information to print out exactly the same numbers with both CPU and GPU)

Fix: preserve exact-origin spherical harmonics in GPU Gint (Useful Information to print out exactly the same numbers with both CPU and GPU) #17693

Run time

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Job Run time
Build without LCAO
5m 43s
Build with CUDA support
14m 6s
Build without ELPA
9m 6s
Build without LCAO and MPI
3m 38s
Build with GNU toolchain
6m 56s
Build with Intel toolchain
9m 7s
Build extra components with GNU toolchain
18m 37s
Build without MPI
7m 7s
Build extra components with Intel toolchain
15m 44s
1h 30m 4s