Closed yueyericardo closed 3 years ago
Benchmark on TITAN V
Before
File: small.pdb, Molecule size: 264
Original TorchANI:
Duration: 1.26 s
Speed: 2.53 ms/it
CUaev:
Duration: 0.25 s
Speed: 0.51 ms/it
Speed up: 4.97 X
----------------------------------------------------------------------
File: 1hz5.pdb, Molecule size: 973
Original TorchANI:
Duration: 1.21 s
Speed: 2.43 ms/it
CUaev:
Duration: 2.42 s
Speed: 4.83 ms/it
Speed up (slower): 0.50 X
----------------------------------------------------------------------
File: 6W8H.pdb, Molecule size: 3410
Original TorchANI:
Duration: 1.86 s
Speed: 3.72 ms/it
CUaev:
Duration: 27.69 s
Speed: 55.38 ms/it
Speed up (slower): 0.07 X
After
File: small.pdb, Molecule size: 264
Duration: 1.37 s
Speed: 2.74 ms/it
CUaev:
Duration: 0.20 s
Speed: 0.39 ms/it
Speed up: 7.03 X
----------------------------------------------------------------------
File: 1hz5.pdb, Molecule size: 973
Original TorchANI:
Duration: 1.34 s
Speed: 2.69 ms/it
CUaev:
Duration: 0.28 s
Speed: 0.56 ms/it
Speed up: 4.82 X
----------------------------------------------------------------------
File: 6W8H.pdb, Molecule size: 3410
Original TorchANI:
Duration: 2.33 s
Speed: 4.67 ms/it
CUaev:
Duration: 1.44 s
Speed: 2.88 ms/it
Speed up: 1.62 X
----------------------------------------------------------------------
Related issue: #522