Simulation Specs

Used to specify the simulation function, its inputs and outputs, and user data.

Can be constructed and passed to libEnsemble as a Python class or a dictionary.

class

...
from libensemble import SimSpecs
from simulator import sim_find_sine

...

sim_specs = SimSpecs(
    sim_f=sim_find_sine,
    inputs=["x"],
    out=[("y", float)],
    user={"batch": 1234},
)
...

pydantic model libensemble.specs.SimSpecs

Fields:

dict

...
from simulator import six_hump_camel

...

sim_specs = {
    "sim_f": six_hump_camel,
    "in": ["x"],
    "out": [("y", float)],
    "user": {"batch": 1234},
}
...

• test_uniform_sampling.py has a sim_specs that declares the name of the "in" field variable, "x" (as specified by the corresponding generator "out" field "x" from the gen_specs example). Only the field name is required in sim_specs["in"].

    sim_specs = {
        "sim_f": six_hump_camel,  # Function whose output is being minimized
        "in": ["x"],  # Keys to be given to sim_f
        "out": [("f", float)],  # Name of the outputs from sim_f
    }

• run_libe_forces.py has a longer sim_specs declaration with a number of user-specific fields. These are given to the corresponding sim_f, which can be found at forces_simf.py.

    "sim_f": run_forces,  # Function whose output is being minimized
    "in": ["x"],  # Name of input for sim_f
    "out": [("energy", float)],  # Name, type of output from sim_f
    "user": {
        "keys": ["seed"],
        "cores": 2,
        "sim_particles": 1e3,
        "sim_timesteps": 5,
        "sim_kill_minutes": 10.0,
        "particle_variance": 0.2,
        "kill_rate": 0.5,
        "fail_on_sim": False,
        "fail_on_submit": False,  # Won't occur if 'fail_on_sim' True
    },
}