Hi LAMMPS users,
I am pretty new to LAMMPS and I am trying to benchmark it on a simple case.
I have the attached input file (it’s a lj case with different PMMM parameter values) and run with different number of cores. Here the results:
-----------------1 core
Performance: 4565.958 tau/day, 10.569 timesteps/s
Performance: 2182.186 tau/day, 5.051 timesteps/s
Performance: 1774.433 tau/day, 4.107 timesteps/s
Performance: 2543.834 tau/day, 5.889 timesteps/s
Performance: 772.765 tau/day, 6.203 timesteps/s
-----------------2 core
Performance: 4225.783 tau/day, 9.782 timesteps/s
Performance: 2094.889 tau/day, 4.849 timesteps/s
Performance: 1816.108 tau/day, 4.204 timesteps/s
Performance: 2326.414 tau/day, 5.385 timesteps/s
Performance: 703.687 tau/day, 5.593 timesteps/s
-----------------4 core
Performance: 3504.945 tau/day, 8.113 timesteps/s
Performance: 1787.126 tau/day, 4.137 timesteps/s
Performance: 1635.585 tau/day, 3.786 timesteps/s
Performance: 1892.753 tau/day, 4.381 timesteps/s
Performance: 546.831 tau/day, 4.529 timesteps/s
-----------------8 core
Performance: 2593.201 tau/day, 6.003 timesteps/s
Performance: 1404.663 tau/day, 3.252 timesteps/s
Performance: 1284.628 tau/day, 2.974 timesteps/s
Performance: 1394.353 tau/day, 3.228 timesteps/s
Performance: 433.404 tau/day, 3.308 timesteps/s
-----------------16 core
Performance: 1172.032 tau/day, 2.713 timesteps/s
Performance: 926.618 tau/day, 2.145 timesteps/s
Performance: 892.738 tau/day, 2.067 timesteps/s
Performance: 931.408 tau/day, 2.156 timesteps/s
Performance: 270.925 tau/day, 2.157 timesteps/s
-----------------32 core
Performance: 652.883 tau/day, 1.511 timesteps/s
Performance: 601.613 tau/day, 1.393 timesteps/s
Performance: 598.401 tau/day, 1.385 timesteps/s
Performance: 618.035 tau/day, 1.431 timesteps/s
Performance: 167.245 tau/day, 1.451 timesteps/s
Results are still odd: I would expect a larger simulation time using more cores, not lower! In any case there is a poor scaling from 1 to 8 cores, better from 8 to 32.
Any suggestions? Thanks.
Best,
Jony
Dr Jony Castagna
Sci-Tech Daresbury
Keckwick Lane
Daresbury
Warrington
WA4 4AD
Tel.: +44 (0)1925 603682
in.lj (2.58 KB)