Parameters:
- 64,000 particles, number density
- force: lennard_jones_simple ()
- integrator: verlet (NVE, )
Hardware | time per MD step and particle | steps per second | FP precision | compilation details |
---|---|---|---|---|
Intel Xeon E5540 | 626 ns | 24.9 | double | GCC 4.3.4, -O3 |
NVIDIA Tesla S1070 | 38.9 ns | 402 | double-single | CUDA 3.2, -arch sm_12 |
33.6 ns | 465 | single | CUDA 3.2, -arch sm_12 | |
NVIDIA Tesla S2050 | 30.4 ns | 514 | double-single | CUDA 3.2, -arch sm_12 |
27.1 ns | 577 | single | CUDA 3.2, -arch sm_12 |
Results were obtained from 1 independent measurement and are based on commit 8eb50a7. Each run consisted of NVT equilibration at over (10⁴ steps), followed by benchmarking 5 times 10⁴ NVE steps in a row.
Parameters:
256,000 particles, number density
force: lennard_jones with 2 particle spezies (80% , 20% )
(, , , , , , , )
integrator: verlet (NVE, )
Hardware | time per MD step and particle | steps per second | FP precision | compilation details |
---|---|---|---|---|
Intel Xeon E5540 | 2.65 µs | 1.47 | double | GCC 4.6.1, -O3 |
NVIDIA Tesla S1070 | 68.7 ns | 56.9 | double-single | CUDA 3.2, -arch sm_12 |
62.9 ns | 62.1 | single | CUDA 3.2, -arch sm_12 | |
NVIDIA Tesla S2050 | 45.8 ns | 85.5 | double-single | CUDA 3.2, -arch sm_12 |
38.0 ns | 103 | single | CUDA 3.2, -arch sm_12 |
Results were obtained from 1 independent measurement and are based on commit 6eb10e9. Each run consisted of NVT equilibration at over (2×10⁴ steps), followed by benchmarking 5 times 10⁴ NVE steps in a row.