Will the number of threads(OXP) cause different calculation results?

[bear-maker]

Dear Professor I am currently using the Warpx software and I have encountered a problem. I hope you can help me. The problem is: I used two different numbers of threads(OXP) to run the same program and obtained two different answers (same time, same data, same location). give the result as follows

OMP initialized with 12 OXP threads and OMP initialized with 44 OXP threads

We are a Python code running on VSCode, and the code is as follows:

#!/usr/bin/env python3

from pywarpx import picmi

# Physical constants
c = picmi.constants.c
q_e = picmi.constants.q_e

# Number of time steps
max_steps = 100

# Number of cells
nx = 32
ny = 32
nz = 256

# Physical domain
xmin = -30e-06
xmax = 30e-06
ymin = -30e-06
ymax = 30e-06
zmin = -56e-06
zmax = 12e-06

# Domain decomposition
max_grid_size = 64
blocking_factor = 32

# Create grid
grid = picmi.Cartesian3DGrid(
    number_of_cells=[nx, ny, nz],
    lower_bound=[xmin, ymin, zmin],
    upper_bound=[xmax, ymax, zmax],
    lower_boundary_conditions=["periodic", "periodic", "dirichlet"],
    upper_boundary_conditions=["periodic", "periodic", "dirichlet"],
    lower_boundary_conditions_particles=["periodic", "periodic", "absorbing"],
    upper_boundary_conditions_particles=["periodic", "periodic", "absorbing"],
    moving_window_velocity=[0.0, 0.0, c],
    warpx_max_grid_size=max_grid_size,
    warpx_blocking_factor=blocking_factor,
)

# Particles: plasma electrons
plasma_density = 2e23
plasma_xmin = -20e-06
plasma_ymin = -20e-06
plasma_zmin = 0
plasma_xmax = 20e-06
plasma_ymax = 20e-06
plasma_zmax = None
uniform_distribution = picmi.UniformDistribution(
    density=plasma_density,
    lower_bound=[plasma_xmin, plasma_ymin, plasma_zmin],
    upper_bound=[plasma_xmax, plasma_ymax, plasma_zmax],
    fill_in=True,
)
electrons = picmi.Species(
    particle_type="electron",
    name="electrons",
    initial_distribution=uniform_distribution,
    warpx_add_int_attributes={"regionofinterest": "(z>12.0e-6) * (z<13.0e-6)"},
    warpx_add_real_attributes={"initialenergy": "ux*ux + uy*uy + uz*uz"},
)

# Particles: beam electrons
q_tot = 1e-12
x_m = 0.0
y_m = 0.0
z_m = -28e-06
x_rms = 0.5e-06
y_rms = 0.5e-06
z_rms = 0.5e-06
ux_m = 0.0
uy_m = 0.0
uz_m = 500.0
ux_th = 2.0
uy_th = 2.0
uz_th = 50.0
gaussian_bunch_distribution = picmi.GaussianBunchDistribution(
    n_physical_particles=q_tot / q_e,
    rms_bunch_size=[x_rms, y_rms, z_rms],
    rms_velocity=[c * ux_th, c * uy_th, c * uz_th],
    centroid_position=[x_m, y_m, z_m],
    centroid_velocity=[c * ux_m, c * uy_m, c * uz_m],
)
beam = picmi.Species(
    particle_type="electron",
    name="beam",
    initial_distribution=gaussian_bunch_distribution,
)

# Laser
e_max = 16e12
position_z = 9e-06
profile_t_peak = 30.0e-15
profile_focal_distance = 100e-06
laser = picmi.GaussianLaser(
    wavelength=0.8e-06,
    waist=5e-06,
    duration=15e-15,
    focal_position=[0, 0, profile_focal_distance + position_z],
    centroid_position=[0, 0, position_z - c * profile_t_peak],
    propagation_direction=[0, 0, 1],
    polarization_direction=[0, 1, 0],
    E0=e_max,
    fill_in=False,
)
laser_antenna = picmi.LaserAntenna(
    position=[0.0, 0.0, position_z], normal_vector=[0, 0, 1]
)

# Electromagnetic solver
solver = picmi.ElectromagneticSolver(grid=grid, method="Yee", cfl=1.0, divE_cleaning=0)

# Diagnostics
diag_field_list = ["B", "E", "J", "rho"]
particle_diag = picmi.ParticleDiagnostic(
    name="diag1",
    period=100,
)
field_diag = picmi.FieldDiagnostic(
    name="diag1",
    grid=grid,
    period=100,
    data_list=diag_field_list,
)

# Set up simulation
sim = picmi.Simulation(
    solver=solver,
    max_steps=max_steps,
    verbose=1,
    particle_shape="cubic",
    warpx_use_filter=1,
    warpx_serialize_initial_conditions=1,
    warpx_do_dynamic_scheduling=0,
)

# Add plasma electrons
sim.add_species(
    electrons, layout=picmi.GriddedLayout(grid=grid, n_macroparticle_per_cell=[1, 1, 1])
)

# Add beam electrons
sim.add_species(beam, layout=picmi.PseudoRandomLayout(grid=grid, n_macroparticles=100))

# Add laser
sim.add_laser(laser, injection_method=laser_antenna)

# Add diagnostics
sim.add_diagnostic(particle_diag)
sim.add_diagnostic(field_diag)

# Write input file that can be used to run with the compiled version
sim.write_input_file(file_name="inputs_3d_picmi")

# Initialize inputs and WarpX instance
sim.initialize_inputs()
sim.initialize_warpx()

# Advance simulation until last time step
sim.step(max_steps)

[ax3l]

Hi @bear-maker,

this looks on first sight like your change of parallelism gives you different results by about 3%. This is a common occurrence when your simulation is not converged, i.e., you resolution in terms of cell sizes and/or particles per cell are too coarse.

Try increasing the resolution.