def my_rhs(t, state):
# check for some troublesome output types
inf_exists = not np.isfinite(discr.norm(state, np.inf))
if inf_exists:
if rank == 0:
logging.info(
"Non-finite values detected in simulation, exiting...")
# dump right now
sim_checkpoint(discr=discr,
visualizer=visualizer,
eos=eos,
q=state,
vizname=casename,
step=999999999,
t=t,
dt=current_dt,
nviz=1,
exittol=exittol,
constant_cfl=constant_cfl,
comm=comm,
vis_timer=vis_timer,
overwrite=True,
s0=s0_sc,
kappa=kappa_sc)
exit()
cv = split_conserved(dim=dim, q=state)
return (
ns_operator(discr, q=state, t=t, boundaries=boundaries, eos=eos) +
eos.get_species_source_terms(cv))
def my_checkpoint(step, t, dt, state):
write_restart = (check_step(step, nrestart)
if step != restart_step else False)
if write_restart is True:
with open(snapshot_pattern.format(step=step, rank=rank), "wb") as f:
pickle.dump({
"local_mesh": local_mesh,
"state": obj_array_vectorize(actx.to_numpy, flatten(state)),
"t": t,
"step": step,
"global_nelements": global_nelements,
"num_parts": nparts,
}, f)
#x0=f(time)
exact_soln = Discontinuity(dim=dim, x0=.05,sigma=0.00001,
rhol=rho2, rhor=rho1,
pl=pressure2, pr=pressure1,
ul=vel_inflow[0], ur=0., uc=mach*c_bkrnd)
return sim_checkpoint(discr=discr, visualizer=visualizer, eos=eos,
q=state, vizname=casename,
step=step, t=t, dt=dt, nstatus=nstatus,
nviz=nviz, exittol=exittol,
constant_cfl=constant_cfl, comm=comm, vis_timer=vis_timer,
overwrite=True, exact_soln=exact_soln,sigma=sigma_sc,kappa=kappa_sc)
def my_checkpoint(step, t, dt, state):
write_restart = (check_step(step, nrestart)
if step != restart_step else False)
if write_restart is True:
with open(snapshot_pattern.format(step=step, rank=rank), "wb") as f:
pickle.dump({
"local_mesh": local_mesh,
"state": obj_array_vectorize(actx.to_numpy, flatten(state)),
"t": t,
"step": step,
"global_nelements": global_nelements,
"num_parts": nparts,
}, f)
cv = split_conserved(dim, state)
tagged_cells = smoothness_indicator(discr, cv.mass, s0=s0_sc, kappa=kappa_sc)
viz_fields = [("sponge_sigma", gen_sponge()),("tagged cells", tagged_cells)]
return sim_checkpoint(discr=discr, visualizer=visualizer, eos=eos,
q=state, vizname=casename,
step=step, t=t, dt=dt, nstatus=nstatus,
nviz=nviz, exittol=exittol,
constant_cfl=constant_cfl, comm=comm, vis_timer=vis_timer,
overwrite=True,s0=s0_sc,kappa=kappa_sc,
viz_fields=viz_fields)
def my_checkpoint(step, t, dt, state):
if check_step(step, nrestart) and step != restart_step:
rst_filename = (restart_path + restart_file_pattern.format(
casename=casename, step=step, rank=rank))
rst_data = {
"local_mesh": local_mesh,
"state": current_state,
"t": t,
"step": step,
"global_nelements": global_nelements,
"num_parts": nproc
}
from mirgecom.restart import write_restart_file
write_restart_file(actx, rst_data, rst_filename, comm)
# awful - computes potentially expensive viz quantities
# regardless of whether it is time to viz
reaction_rates = eos.get_production_rates(state)
viz_fields = [("reaction_rates", reaction_rates)]
return sim_checkpoint(discr,
visualizer,
eos,
cv=state,
vizname=casename,
step=step,
t=t,
dt=dt,
nstatus=nstatus,
nviz=nviz,
constant_cfl=constant_cfl,
comm=comm,
viz_fields=viz_fields)
def my_checkpoint(step, t, dt, state):
write_restart = (check_step(step, nrestart)
if step != restart_step else False)
if write_restart is True:
with open(snapshot_pattern.format(step=step, rank=rank),
"wb") as f:
pickle.dump(
{
"local_mesh": local_mesh,
"state": obj_array_vectorize(actx.to_numpy,
flatten(state)),
"t": t,
"step": step,
"global_nelements": global_nelements,
"num_parts": nparts,
}, f)
def loc_fn(t):
return flame_start_loc + flame_speed * t
exact_soln = PlanarDiscontinuity(dim=dim,
disc_location=loc_fn,
sigma=0.0000001,
nspecies=nspecies,
temperature_left=temp_ignition,
temperature_right=temp_unburned,
pressure_left=pres_burned,
pressure_right=pres_unburned,
velocity_left=vel_burned,
velocity_right=vel_unburned,
species_mass_left=y_burned,
species_mass_right=y_unburned)
cv = split_conserved(dim, state)
reaction_rates = eos.get_production_rates(cv)
viz_fields = [("reaction_rates", reaction_rates)]
return sim_checkpoint(discr=discr,
visualizer=visualizer,
eos=eos,
q=state,
vizname=casename,
step=step,
t=t,
dt=dt,
nstatus=nstatus,
nviz=nviz,
exittol=exittol,
constant_cfl=constant_cfl,
comm=comm,
vis_timer=vis_timer,
overwrite=True,
exact_soln=exact_soln,
viz_fields=viz_fields)
def my_rhs(t, state):
# check for some troublesome output types
inf_exists = not np.isfinite(discr.norm(state, np.inf))
if inf_exists:
if rank == 0:
logging.info("Non-finite values detected in simulation, exiting...")
# dump right now
viz_fields = [("sponge_sigma", gen_sponge())]
sim_checkpoint(discr=discr, visualizer=visualizer, eos=eos,
q=state, vizname=casename,
step=999999999, t=t, dt=current_dt,
nviz=1, exittol=exittol,
constant_cfl=constant_cfl, comm=comm, vis_timer=vis_timer,
overwrite=True,s0=s0_sc,kappa=kappa_sc,
viz_fields=viz_fields)
exit()
return ( euler_operator(discr, q=state, t=t,boundaries=boundaries, eos=eos)
+ artificial_viscosity(discr,t=t, r=state, eos=eos, boundaries=boundaries,
alpha=alpha_sc, s0=s0_sc, kappa=kappa_sc)
+ sponge(q=state, q_ref=ref_state, sigma=sponge_sigma))
def my_checkpoint(step, t, dt, state):
return sim_checkpoint(discr,
visualizer,
eos,
cv=state,
vizname=casename,
step=step,
t=t,
dt=dt,
nstatus=nstatus,
nviz=nviz,
exittol=exittol,
constant_cfl=constant_cfl,
comm=comm)
def my_checkpoint_rn(step, t, dt, state):
viz_fields = [("sponge_sigma", gen_sponge())]
return sim_checkpoint(discr=discr,
visualizer=visualizer,
eos=eos,
q=state,
vizname=casename,
step=step,
t=t,
dt=dt,
nviz=1,
exittol=exittol,
constant_cfl=constant_cfl,
comm=comm,
vis_timer=vis_timer,
overwrite=True,
s0=s0_sc,
kappa=kappa_sc,
viz_fields=viz_fields)
def my_checkpoint(step, t, dt, state):
write_restart = (check_step(step, nrestart)
if step != restart_step else False)
if write_restart is True:
with open(snapshot_pattern.format(step=step, rank=rank), "wb") as f:
pickle.dump({
"local_mesh": local_mesh,
"state": obj_array_vectorize(actx.to_numpy, flatten(state)),
"t": t,
"step": step,
"global_nelements": global_nelements,
"num_parts": nparts,
}, f)
return sim_checkpoint(discr=discr, visualizer=visualizer, eos=eos,
q=state, vizname=casename,
step=step, t=t, dt=dt, nstatus=nstatus,
nviz=nviz, exittol=exittol,
constant_cfl=constant_cfl, comm=comm, vis_timer=vis_timer,
overwrite=True,s0=s0_sc,kappa=kappa_sc)
def run_init(
ctx_factory=cl.create_some_context,
snapshot_pattern="flame1d-{step:06d}-{rank:04d}.pkl",
):
"""Drive the Y0 example."""
from mpi4py import MPI
comm = MPI.COMM_WORLD
rank = 0
rank = comm.Get_rank()
nparts = comm.Get_size()
cl_ctx = ctx_factory()
queue = cl.CommandQueue(cl_ctx)
actx = PyOpenCLArrayContext(queue,
allocator=cl_tools.MemoryPool(
cl_tools.ImmediateAllocator(queue)))
dim = 2
order = 1
vel_burned = np.zeros(shape=(dim, ))
vel_unburned = np.zeros(shape=(dim, ))
# {{{ Set up initial state using Cantera
# Use Cantera for initialization
# -- Pick up a CTI for the thermochemistry config
# --- Note: Users may add their own CTI file by dropping it into
# --- mirgecom/mechanisms alongside the other CTI files.
from mirgecom.mechanisms import get_mechanism_cti
# uiuc C2H4
#mech_cti = get_mechanism_cti("uiuc")
# sanDiego H2
mech_cti = get_mechanism_cti("sanDiego")
cantera_soln = cantera.Solution(phase_id="gas", source=mech_cti)
nspecies = cantera_soln.n_species
# Initial temperature, pressure, and mixutre mole fractions are needed to
# set up the initial state in Cantera.
temp_unburned = 300.0
temp_ignition = 1500.0
# Parameters for calculating the amounts of fuel, oxidizer, and inert species
equiv_ratio = 1.0
ox_di_ratio = 0.21
# H2
stoich_ratio = 0.5
#C2H4
#stoich_ratio = 3.0
# Grab the array indices for the specific species, ethylene, oxygen, and nitrogen
# C2H4
#i_fu = cantera_soln.species_index("C2H4")
# H2
i_fu = cantera_soln.species_index("H2")
i_ox = cantera_soln.species_index("O2")
i_di = cantera_soln.species_index("N2")
x = np.zeros(nspecies)
# Set the species mole fractions according to our desired fuel/air mixture
x[i_fu] = (ox_di_ratio * equiv_ratio) / (stoich_ratio +
ox_di_ratio * equiv_ratio)
x[i_ox] = stoich_ratio * x[i_fu] / equiv_ratio
x[i_di] = (1.0 - ox_di_ratio) * x[i_ox] / ox_di_ratio
# Uncomment next line to make pylint fail when it can't find cantera.one_atm
one_atm = cantera.one_atm # pylint: disable=no-member
# one_atm = 101325.0
pres_unburned = one_atm
# Let the user know about how Cantera is being initilized
print(f"Input state (T,P,X) = ({temp_unburned}, {pres_unburned}, {x}")
# Set Cantera internal gas temperature, pressure, and mole fractios
cantera_soln.TPX = temp_unburned, pres_unburned, x
# Pull temperature, total density, mass fractions, and pressure from Cantera
# We need total density, and mass fractions to initialize the fluid/gas state.
y_unburned = np.zeros(nspecies)
can_t, rho_unburned, y_unburned = cantera_soln.TDY
can_p = cantera_soln.P
# *can_t*, *can_p* should not differ (significantly) from user's initial data,
# but we want to ensure that we use exactly the same starting point as Cantera,
# so we use Cantera's version of these data.
# now find the conditions for the burned gas
cantera_soln.equilibrate('TP')
temp_burned, rho_burned, y_burned = cantera_soln.TDY
pres_burned = cantera_soln.P
casename = "flame1d"
pyrometheus_mechanism = pyro.get_thermochem_class(cantera_soln)(actx.np)
# C2H4
mu = 1.e-5
kappa = 1.6e-5 # Pr = mu*rho/alpha = 0.75
# H2
mu = 1.e-5
kappa = mu * 0.08988 / 0.75 # Pr = mu*rho/alpha = 0.75
species_diffusivity = 1.e-5 * np.ones(nspecies)
transport_model = SimpleTransport(viscosity=mu,
thermal_conductivity=kappa,
species_diffusivity=species_diffusivity)
eos = PyrometheusMixture(pyrometheus_mechanism,
temperature_guess=temp_unburned,
transport_model=transport_model)
species_names = pyrometheus_mechanism.species_names
print(f"Pyrometheus mechanism species names {species_names}")
print(
f"Unburned state (T,P,Y) = ({temp_unburned}, {pres_unburned}, {y_unburned}"
)
print(f"Burned state (T,P,Y) = ({temp_burned}, {pres_burned}, {y_burned}")
flame_start_loc = 0.05
flame_speed = 1000
# use the burned conditions with a lower temperature
bulk_init = PlanarDiscontinuity(dim=dim,
disc_location=flame_start_loc,
sigma=0.01,
nspecies=nspecies,
temperature_left=temp_ignition,
temperature_right=temp_unburned,
pressure_left=pres_burned,
pressure_right=pres_unburned,
velocity_left=vel_burned,
velocity_right=vel_unburned,
species_mass_left=y_burned,
species_mass_right=y_unburned)
char_len = 0.001
box_ll = (0.0, 0.0)
box_ur = (0.25, 0.01)
num_elements = (int((box_ur[0] - box_ll[0]) / char_len),
int((box_ur[1] - box_ll[1]) / char_len))
from meshmode.mesh.generation import generate_regular_rect_mesh
generate_mesh = partial(generate_regular_rect_mesh,
a=box_ll,
b=box_ur,
n=num_elements,
mesh_type="X",
boundary_tag_to_face={
"Inflow": ["-x"],
"Outflow": ["+x"],
"Wall": ["+y", "-y"]
})
local_mesh, global_nelements = generate_and_distribute_mesh(
comm, generate_mesh)
local_nelements = local_mesh.nelements
discr = EagerDGDiscretization(actx,
local_mesh,
order=order,
mpi_communicator=comm)
nodes = thaw(actx, discr.nodes())
# for Discontinuity initial conditions
state = bulk_init(t=0., x_vec=nodes, eos=eos)
# for uniform background initial condition
#current_state = bulk_init(nodes, eos=eos)
visualizer = make_visualizer(discr, order)
with open(snapshot_pattern.format(step=0, rank=rank), "wb") as f:
pickle.dump(
{
"local_mesh": local_mesh,
"state": obj_array_vectorize(actx.to_numpy, flatten(state)),
"t": 0.,
"step": 0,
"global_nelements": global_nelements,
"num_parts": nparts,
}, f)
cv = split_conserved(dim, state)
reaction_rates = eos.get_production_rates(cv)
viz_fields = [("reaction_rates", reaction_rates)]
sim_checkpoint(discr=discr,
visualizer=visualizer,
eos=eos,
q=state,
vizname=casename,
nviz=0,
comm=comm,
overwrite=True,
viz_fields=viz_fields)
exit()
