Inconsistent timing performance

Greetings,

I have completed a LAMMPS simulation, but the performance table and data at the end of the simulation baffled me. The duration for the last NPT simulation is 400 nanoseconds. The performance of this NPT simulation (as seen from the attached log file) is around 159 ns/day, but the simulation ends in around 6 hours. How is this possible? If the performance data is correct then it should take around 3 days for the simulation to complete. Am I missing something? I have attached the log file.

log.lammps (5.7 MB)

Hello,

You did not run 400 ns but 40, c.f.:

WARNING: Changing timestep from 10 to 1 due to changing units to real

Simon

1 Like

Thanks. I think this happens because I defined timestep before defining the units correct?

It seems like it, yes. You can easily make the test.

1 Like