Runtime Estimate

Given the number of steps, this module estimates the remaining runtime.

Example:

-- setup simulation box
halmd.observables.sampler:setup()

-- number of MD steps
local steps = 1000000

-- calculate remaining runtime every minute, and log every 15 minutes
local runtime = halmd.observables.runtime_estimate({steps = steps, first = 10, interval = 900, sample = 60})

-- run simulation
halmd.observables.sampler:run(steps)

A runtime estimate may be triggered by sending the process signal USR1:

killall -USR1 halmd

class halmd.observables.runtime_estimate(args)

Construct runtime_estimate instance.

Parameters:

• args (table) – keyword arguments
• steps (number) – length of simulation run
• first (number) – time to first estimate in seconds
• interval (number) – frequency of estimates in seconds
• sample (number) – frequency of sampling in seconds