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Q
cudaq
molecular simulation blueprint

CPU vs GPU comparison

Aggregated across 15 runs in results/. Per-backend mean ± standard error.

H2

0.96x cpu_over_gpu_fp64_wall_time 1.30x cpu_over_gpu_fp32_wall_time
backend n wall time (s) time/eval (ms) iterations |err vs ref| (Ha)
gpu_fp64 3 17.653 ± 1.076 221.58 ± 0.36 79.7 ± 4.8 1.75e-07
gpu_fp32 3 12.976 ± 0.390 222.43 ± 0.54 58.3 ± 1.7 2.83e-06
cpu 3 16.872 ± 0.833 229.01 ± 1.71 73.7 ± 3.5 1.75e-07

LIH

1.66x cpu_over_gpu_fp64_wall_time
backend n wall time (s) time/eval (ms) iterations |err vs ref| (Ha)
gpu_fp64 3 1086.563 ± 4.192 724.38 ± 2.79 1500.0 ± 0.0 4.43e-02
cpu 3 1809.119 ± 7.034 1206.08 ± 4.69 1500.0 ± 0.0 4.43e-02