Benchmarking

GPU versus CPU on Abalone

H20 model H20 Benchmarking

Time in seconds spent on the one step of Hybrid Monte Carlo.

Step of Hybrid Monte Carlo consists of 512 steps of the fourth order molecular dynamics algorithm. Step of molecular dynamics consists of four substeps, in each of which computes forces.


GPU - GeForce GTX 750 Ti

water
molecules
atomsAbalone
CPU, sec
Ascalaph
CPU, sec
Abalone
GPU, sec
speed-up
to Abalone, x
speed-up
to Ascalaph, x
128 384 4.8 7.7 1.4 3.3 5.31
216 648 12.7 20.4 1.7 7.4 11.8
512 1536 64.2 105.2 3.1 20.2 33.1
1264 3792 361.0 595.6 10.1 35.6 58.7
2000 6000 866.7 1429.0 24.7 35.0 57.7
4096 12288 3416.2 100.1 34.1


GPU - GeForce GTX 980

water
molecules
atomsAbalone
CPU, sec
Ascalaph
CPU, sec
Abalone
GPU, sec
speed-up
to Abalone, x
speed-up
to Ascalaph, x
128 384 4.8 7.7 1.6 3.0 4.8
216 648 12.7 20.4 1.7 7.4 12.0
512 1536 64.2 105.2 2.6 24.7 40.5
1264 3792 361.0 595.6 6.3 57.3 94.5
2000 6000 866.7 1429.0 12.1 71.6 118.1
4096 12288 3416.2 42.2 81.0
8000 24000 13198.9 200.0 66.0



Many thanks to NVIDIA team for the providing equipment for testing.

 

 

 

 

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