diff --git a/examples/advdiff-tpe.py b/examples/advdiff-tpe.py new file mode 100644 index 000000000..b45212176 --- /dev/null +++ b/examples/advdiff-tpe.py @@ -0,0 +1,498 @@ +"""Demonstrate simple scalar advection-diffusion.""" + +__copyright__ = """ +Copyright (C) 2020 University of Illinois Board of Trustees +""" + +__license__ = """ +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in +all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN +THE SOFTWARE. +""" +import logging +import numpy as np +from functools import partial +from pytools.obj_array import make_obj_array + +from meshmode.mesh import BTAG_ALL, BTAG_NONE # noqa +from mirgecom.discretization import create_discretization_collection +from grudge.shortcuts import make_visualizer + + +from mirgecom.transport import SimpleTransport +from mirgecom.navierstokes import ns_operator +from mirgecom.simutil import ( + # get_sim_timestep, + generate_and_distribute_mesh, + compare_fluid_solutions +) +from mirgecom.limiter import bound_preserving_limiter +from mirgecom.fluid import make_conserved +from mirgecom.io import make_init_message +from mirgecom.mpi import mpi_entry_point + +from mirgecom.integrators import rk4_step +from mirgecom.steppers import advance_state +# from mirgecom.boundary import PrescribedFluidBoundary +# from mirgecom.initializers import MulticomponentLump +from mirgecom.eos import IdealSingleGas + +from logpyle import IntervalTimer, set_dt +from mirgecom.euler import extract_vars_for_logging, units_for_logging +from mirgecom.logging_quantities import ( + initialize_logmgr, + logmgr_add_many_discretization_quantities, + logmgr_add_device_name, + logmgr_add_device_memory_usage, + set_sim_state +) + +logger = logging.getLogger(__name__) + + +class MyRuntimeError(RuntimeError): + """Simple exception to kill the simulation.""" + + pass + + +@mpi_entry_point +def main(actx_class, use_overintegration=False, use_esdg=False, + use_leap=False, casename=None, rst_filename=None, use_tpe=True): + """Drive example.""" + if casename is None: + casename = "mirgecom" + + from mpi4py import MPI + comm = MPI.COMM_WORLD + rank = comm.Get_rank() + nparts = comm.Get_size() + + from mirgecom.simutil import global_reduce as _global_reduce + global_reduce = partial(_global_reduce, comm=comm) + + logmgr = initialize_logmgr(True, + filename=f"{casename}.sqlite", mode="wu", mpi_comm=comm) + + from mirgecom.array_context import initialize_actx, actx_class_is_profiling + actx = initialize_actx(actx_class, comm, + use_axis_tag_inference_fallback=True, + use_einsum_inference_fallback=True) + queue = getattr(actx, "queue", None) + use_profiling = actx_class_is_profiling(actx_class) + + # timestepping control + current_step = 0 + if use_leap: + from leap.rk import RK4MethodBuilder + timestepper = RK4MethodBuilder("state") + else: + timestepper = rk4_step + + t_final = 2e-4 + current_cfl = 0.1 + current_dt = 1e-5 + current_t = 0 + constant_cfl = False + + # some i/o frequencies + nstatus = 100 + nrestart = 100 + nviz = 10 + nhealth = 100 + + dim = 2 + nel_1d = 8 + order = 3 + + rst_path = "restart_data/" + rst_pattern = ( + rst_path + "{cname}-{step:04d}-{rank:04d}.pkl" + ) + if rst_filename: # read the grid from restart data + rst_filename = f"{rst_filename}-{rank:04d}.pkl" + from mirgecom.restart import read_restart_data + restart_data = read_restart_data(actx, rst_filename) + local_mesh = restart_data["local_mesh"] + local_nelements = local_mesh.nelements + global_nelements = restart_data["global_nelements"] + assert restart_data["num_parts"] == nparts + else: # generate the grid from scratch + box_ll = -.5 + box_ur = .5 + periodic = (True, )*dim + from meshmode.mesh.generation import generate_regular_rect_mesh + from meshmode.mesh import TensorProductElementGroup + grp_cls = TensorProductElementGroup if use_tpe else None + generate_mesh = partial(generate_regular_rect_mesh, a=(box_ll,)*dim, + b=(box_ur,) * dim, nelements_per_axis=(nel_1d,)*dim, + periodic=periodic, group_cls=grp_cls) + local_mesh, global_nelements = generate_and_distribute_mesh(comm, + generate_mesh) + local_nelements = local_mesh.nelements + + dcoll = create_discretization_collection(actx, local_mesh, order=order, + tensor_product_elements=use_tpe) + nodes = actx.thaw(dcoll.nodes()) + + from grudge.dof_desc import DISCR_TAG_QUAD + if use_overintegration: + quadrature_tag = DISCR_TAG_QUAD + else: + quadrature_tag = None + + def _limit_fluid_cv(cv, temperature_seed=None, gas_model=None, dd=None): + actx = cv.array_context + + # limit species + spec_lim = make_obj_array([ + bound_preserving_limiter(dcoll, cv.species_mass_fractions[i], mmin=0.0, + dd=dd) + for i in range(nspecies) + ]) + spec_lim = actx.np.where(actx.np.greater(spec_lim, 0.0), spec_lim, 0.0) + + # normalize to ensure sum_Yi = 1.0 + # aux = cv.mass*0.0 + # for i in range(0, nspecies): + # aux = aux + spec_lim[i] + # spec_lim = spec_lim/aux + + # recompute density + # mass_lim = eos.get_density(pressure=pressure, + # temperature=temperature, species_mass_fractions=spec_lim) + + # recompute energy + # energy_lim = mass_lim*(gas_model.eos.get_internal_energy( + # temperature, species_mass_fractions=spec_lim) + # + 0.5*np.dot(cv.velocity, cv.velocity) + # ) + + # make a new CV with the limited variables + return make_conserved(dim=dim, mass=cv.mass, energy=cv.energy, + momentum=cv.momentum, + species_mass=cv.mass*spec_lim) + use_limiter = False + limiter_function = _limit_fluid_cv if use_limiter else None + + def vol_min(x): + from grudge.op import nodal_min + return actx.to_numpy(nodal_min(dcoll, "vol", x))[()] + + def vol_max(x): + from grudge.op import nodal_max + return actx.to_numpy(nodal_max(dcoll, "vol", x))[()] + + from grudge.dt_utils import characteristic_lengthscales + dx = characteristic_lengthscales(actx, dcoll) + dx_min, dx_max = vol_min(dx), vol_max(dx) + + print(f"DX: ({dx_min}, {dx_max})") + vis_timer = None + + if logmgr: + logmgr_add_device_name(logmgr, queue) + logmgr_add_device_memory_usage(logmgr, queue) + logmgr_add_many_discretization_quantities(logmgr, dcoll, dim, + extract_vars_for_logging, units_for_logging) + + vis_timer = IntervalTimer("t_vis", "Time spent visualizing") + logmgr.add_quantity(vis_timer) + + logmgr.add_watches([ + ("step.max", "step = {value}, "), + ("t_sim.max", "sim time: {value:1.6e} s\n"), + ("min_pressure", "------- P (min, max) (Pa) = ({value:1.9e}, "), + ("max_pressure", "{value:1.9e})\n"), + ("t_step.max", "------- step walltime: {value:6g} s, "), + ("t_log.max", "log walltime: {value:6g} s") + ]) + + # soln setup and init + nspecies = 4 + centers = make_obj_array([np.zeros(shape=(dim,)) for i in range(nspecies)]) + velocity = np.zeros(shape=(dim,)) + velocity[0] = 300. + wave_vector = np.zeros(shape=(dim,)) + wave_vector[0] = 1. + wave_vector = wave_vector / np.sqrt(np.dot(wave_vector, wave_vector)) + + spec_y0s = np.zeros(shape=(nspecies,)) + spec_amplitudes = np.ones(shape=(nspecies,)) + spec_omegas = 2. * np.pi * np.ones(shape=(nspecies,)) + + kappa = 0.0 + mu = 1e-5 + spec_diff = 1e-1 + spec_diffusivities = np.array([spec_diff * 1./float(j+1) + for j in range(nspecies)]) + transport_model = SimpleTransport(viscosity=mu, thermal_conductivity=kappa, + species_diffusivity=spec_diffusivities) + + eos = IdealSingleGas() + from mirgecom.gas_model import GasModel, make_fluid_state + gas_model = GasModel(eos=eos, transport=transport_model) + + from mirgecom.initializers import MulticomponentTrig + initializer = MulticomponentTrig(dim=dim, nspecies=nspecies, + p0=101325, rho0=1.3, + spec_centers=centers, velocity=velocity, + spec_y0s=spec_y0s, + spec_amplitudes=spec_amplitudes, + spec_omegas=spec_omegas, + spec_diffusivities=spec_diffusivities, + wave_vector=wave_vector, + trig_function=actx.np.sin) + + def boundary_solution(dcoll, dd_bdry, gas_model, state_minus, **kwargs): + actx = state_minus.array_context + bnd_discr = dcoll.discr_from_dd(dd_bdry) + nodes = actx.thaw(bnd_discr.nodes()) + return make_fluid_state(initializer(x_vec=nodes, eos=gas_model.eos, + **kwargs), gas_model, + limiter_func=limiter_function, + limiter_dd=dd_bdry) + + boundaries = {} + + if rst_filename: + current_t = restart_data["t"] + current_step = restart_data["step"] + current_cv = restart_data["cv"] + if logmgr: + from mirgecom.logging_quantities import logmgr_set_time + logmgr_set_time(logmgr, current_step, current_t) + else: + # Set the current state from time 0 + current_cv = initializer(nodes) + + current_state = make_fluid_state(current_cv, gas_model, + limiter_func=limiter_function) + convective_speed = np.sqrt(np.dot(velocity, velocity)) + c = current_state.speed_of_sound + mach = vol_max(convective_speed / c) + cell_peclet = c * dx / (2 * spec_diff) + pe_min, pe_max = vol_min(cell_peclet), vol_max(cell_peclet) + + print(f"Mach: {mach}") + print(f"Cell Peclet: ({pe_min, pe_max})") + + visualizer = make_visualizer(dcoll) + initname = initializer.__class__.__name__ + eosname = eos.__class__.__name__ + init_message = make_init_message(dim=dim, order=order, + nelements=local_nelements, + global_nelements=global_nelements, + dt=current_dt, t_final=t_final, nstatus=nstatus, + nviz=nviz, cfl=current_cfl, + constant_cfl=constant_cfl, initname=initname, + eosname=eosname, casename=casename) + if rank == 0: + logger.info(init_message) + + def my_write_status(component_errors): + if rank == 0: + logger.info( + "------- errors=" + + ", ".join("%.3g" % en for en in component_errors)) + + def my_write_viz(step, t, cv, dv, exact): + resid = cv - exact + viz_fields = [("cv", cv), + ("dv", dv), + ("exact", exact), + ("resid", resid)] + from mirgecom.simutil import write_visfile + write_visfile(dcoll, viz_fields, visualizer, vizname=casename, + step=step, t=t, overwrite=True, vis_timer=vis_timer) + + def my_write_restart(step, t, cv): + rst_fname = rst_pattern.format(cname=casename, step=step, rank=rank) + if rst_fname != rst_filename: + rst_data = { + "local_mesh": local_mesh, + "cv": cv, + "t": t, + "step": step, + "order": order, + "global_nelements": global_nelements, + "num_parts": nparts + } + from mirgecom.restart import write_restart_file + write_restart_file(actx, rst_data, rst_fname, comm) + + def my_health_check(pressure, component_errors): + health_error = False + from mirgecom.simutil import check_naninf_local, check_range_local + if check_naninf_local(dcoll, "vol", pressure): + health_error = True + logger.info(f"{rank=}: Invalid pressure data found.") + + if check_range_local(dcoll, "vol", pressure, 101324.99, 101325.01): + health_error = True + logger.info(f"{rank=}: Pressure out of expected range.") + + exittol = .09 + if max(component_errors) > exittol: + health_error = False + if rank == 0: + logger.info("Solution diverged from exact soln.") + + return health_error + + def my_pre_step(step, t, dt, state): + cv = state + + try: + + if logmgr: + logmgr.tick_before() + + from mirgecom.simutil import check_step + do_viz = check_step(step=step, interval=nviz) + do_restart = check_step(step=step, interval=nrestart) + do_health = check_step(step=step, interval=nhealth) + do_status = check_step(step=step, interval=nstatus) + + if do_viz or do_health or do_status: + fluid_state = make_fluid_state(state, gas_model) + dv = fluid_state.dv + exact = initializer(x_vec=nodes, eos=eos, time=t) + + if do_health or do_status: + component_errors = compare_fluid_solutions(dcoll, cv, exact) + + if do_health: + health_errors = global_reduce( + my_health_check(dv.pressure, component_errors), op="lor") + if health_errors: + if rank == 0: + logger.info("Fluid solution failed health check.") + raise MyRuntimeError("Failed simulation health check.") + + if do_restart: + my_write_restart(step=step, t=t, cv=cv) + + if do_viz: + my_write_viz(step=step, t=t, cv=cv, dv=dv, exact=exact) + + if do_status: + my_write_status(component_errors=component_errors) + + except MyRuntimeError: + if rank == 0: + logger.info("Errors detected; attempting graceful exit.") + raise + + # dt = get_sim_timestep(dcoll, fluid_state, t, dt, current_cfl, t_final, + # constant_cfl) + + return state, dt + + def my_post_step(step, t, dt, state): + # Logmgr needs to know about EOS, dt, dim? + # imo this is a design/scope flaw + if logmgr: + set_dt(logmgr, dt) + set_sim_state(logmgr, dim, state, eos) + logmgr.tick_after() + return state, dt + + def my_rhs(t, state): + fluid_state = make_fluid_state(state, gas_model, + limiter_func=limiter_function) + return ns_operator(dcoll, state=fluid_state, time=t, + boundaries=boundaries, gas_model=gas_model, + quadrature_tag=quadrature_tag, use_esdg=use_esdg, + limiter_func=limiter_function) + + # current_dt = get_sim_timestep(dcoll, current_state, current_t, current_dt, + # current_cfl, t_final, constant_cfl) + + current_step, current_t, current_cv = \ + advance_state(rhs=my_rhs, timestepper=timestepper, + pre_step_callback=my_pre_step, dt=current_dt, + post_step_callback=my_post_step, + state=current_state.cv, t=current_t, t_final=t_final) + + # Dump the final data + if rank == 0: + logger.info("Checkpointing final state ...") + + current_state = make_fluid_state(current_cv, gas_model) + final_dv = current_state.dv + final_exact = initializer(x_vec=nodes, eos=eos, time=current_t) + my_write_viz(step=current_step, t=current_t, cv=current_state.cv, dv=final_dv, + exact=final_exact) + my_write_restart(step=current_step, t=current_t, cv=current_state.cv) + + if logmgr: + logmgr.close() + elif use_profiling: + print(actx.tabulate_profiling_data()) + + finish_tol = 1e-16 + time_err = current_t - t_final + if np.abs(time_err) > finish_tol: + raise ValueError(f"Simulation did not finish at expected time {time_err=}.") + + +if __name__ == "__main__": + import argparse + casename = "scalar-advdiff" + parser = argparse.ArgumentParser(description=f"MIRGE-Com Example: {casename}") + parser.add_argument("--lazy", action="store_true", + help="switch to a lazy computation mode") + parser.add_argument("--profiling", action="store_true", + help="turn on detailed performance profiling") + parser.add_argument("--leap", action="store_true", + help="use leap timestepper") + parser.add_argument("--esdg", action="store_true", + help="use entropy-stable rhs operator") + parser.add_argument("--overintegration", action="store_true", + help="use overintegration") + parser.add_argument("--numpy", action="store_true", + help="use numpy-based eager actx.") + parser.add_argument("--restart_file", help="root name of restart file") + parser.add_argument("--casename", help="casename to use for i/o") + args = parser.parse_args() + + from warnings import warn + from mirgecom.simutil import ApplicationOptionsError + if args.esdg: + if not args.lazy and not args.numpy: + raise ApplicationOptionsError("ESDG requires lazy or numpy context.") + if not args.overintegration: + warn("ESDG requires overintegration, enabling --overintegration.") + + from mirgecom.array_context import get_reasonable_array_context_class + actx_class = get_reasonable_array_context_class(lazy=args.lazy, distributed=True, + profiling=args.profiling, + numpy=args.numpy) + + logging.basicConfig(format="%(message)s", level=logging.INFO) + if args.casename: + casename = args.casename + rst_filename = None + if args.restart_file: + rst_filename = args.restart_file + + main(actx_class, use_leap=args.leap, use_esdg=args.esdg, + use_overintegration=args.overintegration or args.esdg, + casename=casename, rst_filename=rst_filename) + +# vim: foldmethod=marker diff --git a/examples/mixture-tpe.py b/examples/mixture-tpe.py new file mode 100644 index 000000000..9b730048b --- /dev/null +++ b/examples/mixture-tpe.py @@ -0,0 +1,484 @@ +"""Demonstrate simple gas mixture with Pyrometheus.""" + +__copyright__ = """ +Copyright (C) 2020 University of Illinois Board of Trustees +""" + +__license__ = """ +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in +all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN +THE SOFTWARE. +""" +import logging +import numpy as np +from functools import partial + +from meshmode.mesh import BTAG_ALL +from grudge.shortcuts import make_visualizer +from grudge.dof_desc import DISCR_TAG_QUAD + +from mirgecom.discretization import create_discretization_collection +from mirgecom.euler import euler_operator +from mirgecom.simutil import ( + get_sim_timestep, + generate_and_distribute_mesh +) +from mirgecom.io import make_init_message +from mirgecom.mpi import mpi_entry_point + +from mirgecom.integrators import rk4_step +from mirgecom.steppers import advance_state +from mirgecom.boundary import ( + PrescribedFluidBoundary, + AdiabaticSlipBoundary +) +from mirgecom.initializers import Uniform +from mirgecom.eos import PyrometheusMixture + +import cantera + +from logpyle import IntervalTimer, set_dt +from mirgecom.euler import extract_vars_for_logging, units_for_logging +from mirgecom.logging_quantities import ( + initialize_logmgr, + logmgr_add_many_discretization_quantities, + logmgr_add_cl_device_info, + logmgr_add_device_memory_usage, + set_sim_state +) + +logger = logging.getLogger(__name__) + + +class MyRuntimeError(RuntimeError): + """Simple exception to kill the simulation.""" + + pass + + +@mpi_entry_point +def main(actx_class, use_esdg=False, + use_leap=False, casename=None, rst_filename=None, + log_dependent=False, use_overintegration=False, use_tpe=True): + """Drive example.""" + if casename is None: + casename = "mirgecom" + + from mpi4py import MPI + comm = MPI.COMM_WORLD + rank = comm.Get_rank() + nparts = comm.Get_size() + + from mirgecom.simutil import global_reduce as _global_reduce + global_reduce = partial(_global_reduce, comm=comm) + + logmgr = initialize_logmgr(True, + filename=f"{casename}.sqlite", mode="wu", mpi_comm=comm) + + from mirgecom.array_context import initialize_actx, actx_class_is_profiling + actx = initialize_actx(actx_class, comm, + use_axis_tag_inference_fallback=True, + use_einsum_inference_fallback=True) + queue = getattr(actx, "queue", None) + use_profiling = actx_class_is_profiling(actx_class) + + # timestepping control + if use_leap: + from leap.rk import RK4MethodBuilder + timestepper = RK4MethodBuilder("state") + else: + timestepper = rk4_step + + t_final = 1e-8 + current_cfl = 1.0 + current_dt = 1e-9 + current_t = 0 + current_step = 0 + constant_cfl = False + + # some i/o frequencies + nstatus = 1 + nhealth = 1 + nrestart = 5 + nviz = 100 + + dim = 2 + rst_path = "restart_data/" + rst_pattern = ( + rst_path + "{cname}-{step:04d}-{rank:04d}.pkl" + ) + if rst_filename: # read the grid from restart data + rst_filename = f"{rst_filename}-{rank:04d}.pkl" + from mirgecom.restart import read_restart_data + restart_data = read_restart_data(actx, rst_filename) + local_mesh = restart_data["local_mesh"] + local_nelements = local_mesh.nelements + global_nelements = restart_data["global_nelements"] + assert restart_data["num_parts"] == nparts + else: # generate the grid from scratch + nel_1d = 16 + box_ll = -5.0 + box_ur = 5.0 + from meshmode.mesh.generation import generate_regular_rect_mesh + from meshmode.mesh import TensorProductElementGroup + grp_cls = TensorProductElementGroup if use_tpe else None + generate_mesh = partial(generate_regular_rect_mesh, a=(box_ll,)*dim, + b=(box_ur,) * dim, nelements_per_axis=(nel_1d,)*dim, + group_cls=grp_cls) + local_mesh, global_nelements = generate_and_distribute_mesh(comm, + generate_mesh) + local_nelements = local_mesh.nelements + + order = 3 + dcoll = create_discretization_collection(actx, local_mesh, order=order, + tensor_product_elements=use_tpe) + nodes = actx.thaw(dcoll.nodes()) + + if use_overintegration: + quadrature_tag = DISCR_TAG_QUAD + else: + quadrature_tag = None + + vis_timer = None + + if logmgr: + logmgr_add_cl_device_info(logmgr, queue) + logmgr_add_device_memory_usage(logmgr, queue) + + vis_timer = IntervalTimer("t_vis", "Time spent visualizing") + logmgr.add_quantity(vis_timer) + + logmgr.add_watches([ + ("step.max", "step = {value}, "), + ("t_sim.max", "sim time: {value:1.6e} s\n"), + ("t_step.max", "------- step walltime: {value:6g} s, "), + ("t_log.max", "log walltime: {value:6g} s") + ]) + + if log_dependent: + logmgr_add_many_discretization_quantities(logmgr, dcoll, dim, + extract_vars_for_logging, + units_for_logging) + logmgr.add_watches([ + ("min_pressure", "\n------- P (min, max) (Pa) = ({value:1.9e}, "), + ("max_pressure", "{value:1.9e})\n"), + ("min_temperature", "------- T (min, max) (K) = ({value:7g}, "), + ("max_temperature", "{value:7g})\n")]) + + # Pyrometheus initialization + from mirgecom.mechanisms import get_mechanism_input + mech_input = get_mechanism_input("uiuc_7sp") + sol = cantera.Solution(name="gas", yaml=mech_input) + from mirgecom.thermochemistry import get_pyrometheus_wrapper_class_from_cantera + pyrometheus_mechanism = \ + get_pyrometheus_wrapper_class_from_cantera(sol)(actx.np) + + nspecies = pyrometheus_mechanism.num_species + eos = PyrometheusMixture(pyrometheus_mechanism, temperature_guess=300) + from mirgecom.gas_model import GasModel, make_fluid_state + gas_model = GasModel(eos=eos) + from pytools.obj_array import make_obj_array + + y0s = np.zeros(shape=(nspecies,)) + for i in range(nspecies-1): + y0s[i] = 1.0 / (10.0 ** (i + 1)) + spec_sum = sum([y0s[i] for i in range(nspecies-1)]) + y0s[nspecies-1] = 1.0 - spec_sum + + # Mixture defaults to STP (p, T) = (1atm, 300K) + velocity = np.zeros(shape=(dim,)) + 1.0 + initializer = Uniform(dim=dim, species_mass_fractions=y0s, velocity=velocity, + pressure=101325.0, temperature=300.0) + + def boundary_solution(dcoll, dd_bdry, gas_model, state_minus, **kwargs): + actx = state_minus.array_context + bnd_discr = dcoll.discr_from_dd(dd_bdry) + nodes = actx.thaw(bnd_discr.nodes()) + return make_fluid_state(initializer(x_vec=nodes, eos=gas_model.eos, + **kwargs), gas_model, + temperature_seed=state_minus.temperature) + + if False: + my_boundary = AdiabaticSlipBoundary() + boundaries = {BTAG_ALL: my_boundary} + else: + boundaries = { + BTAG_ALL: PrescribedFluidBoundary(boundary_state_func=boundary_solution) + } + + if rst_filename: + current_t = restart_data["t"] + current_step = restart_data["step"] + current_cv = restart_data["cv"] + tseed = restart_data["temperature_seed"] + if logmgr: + from mirgecom.logging_quantities import logmgr_set_time + logmgr_set_time(logmgr, current_step, current_t) + else: + # Set the current state from time 0 + current_cv = initializer(x_vec=nodes, eos=eos) + tseed = 300.0 + + def get_fluid_state(cv, tseed): + return make_fluid_state(cv=cv, gas_model=gas_model, + temperature_seed=tseed) + + construct_fluid_state = actx.compile(get_fluid_state) + current_state = construct_fluid_state(current_cv, tseed) + + visualizer = make_visualizer(dcoll) + initname = initializer.__class__.__name__ + eosname = eos.__class__.__name__ + init_message = make_init_message(dim=dim, order=order, + nelements=local_nelements, + global_nelements=global_nelements, + dt=current_dt, t_final=t_final, nstatus=nstatus, + nviz=nviz, cfl=current_cfl, + constant_cfl=constant_cfl, initname=initname, + eosname=eosname, casename=casename) + if rank == 0: + logger.info(init_message) + + def my_write_status(component_errors, dv=None): + status_msg = ( + "------- errors=" + + ", ".join("%.3g" % en for en in component_errors)) + if ((dv is not None) and (not log_dependent)): + temp = dv.temperature + press = dv.pressure + + from grudge.op import nodal_min_loc, nodal_max_loc + tmin = global_reduce(actx.to_numpy(nodal_min_loc(dcoll, "vol", temp)), + op="min") + tmax = global_reduce(actx.to_numpy(nodal_max_loc(dcoll, "vol", temp)), + op="max") + pmin = global_reduce(actx.to_numpy(nodal_min_loc(dcoll, "vol", press)), + op="min") + pmax = global_reduce(actx.to_numpy(nodal_max_loc(dcoll, "vol", press)), + op="max") + dv_status_msg = f"\nP({pmin}, {pmax}), T({tmin}, {tmax})" + status_msg = status_msg + dv_status_msg + + if rank == 0: + logger.info(status_msg) + if rank == 0: + logger.info(status_msg) + + def my_write_viz(step, t, state, dv, exact=None, resid=None): + if exact is None: + exact = initializer(x_vec=nodes, eos=eos, time=t) + if resid is None: + resid = state - exact + viz_fields = [("cv", state), ("dv", dv)] + from mirgecom.simutil import write_visfile + write_visfile(dcoll, viz_fields, visualizer, vizname=casename, + step=step, t=t, overwrite=True, vis_timer=vis_timer, + comm=comm) + + def my_write_restart(step, t, state, tseed): + rst_fname = rst_pattern.format(cname=casename, step=step, rank=rank) + if rst_fname != rst_filename: + rst_data = { + "local_mesh": local_mesh, + "cv": state, + "temperature_seed": tseed, + "t": t, + "step": step, + "order": order, + "global_nelements": global_nelements, + "num_parts": nparts + } + from mirgecom.restart import write_restart_file + write_restart_file(actx, rst_data, rst_fname, comm) + + def my_health_check(dv, component_errors): + health_error = False + from mirgecom.simutil import check_naninf_local, check_range_local + if check_naninf_local(dcoll, "vol", dv.pressure) \ + or check_range_local(dcoll, "vol", dv.pressure, 1e5, 1.1e5): + health_error = True + logger.info(f"{rank=}: Invalid pressure data found.") + + exittol = .09 + if max(component_errors) > exittol: + health_error = True + if rank == 0: + logger.info("Solution diverged from exact soln.") + + return health_error + + def my_pre_step(step, t, dt, state): + cv, tseed = state + fluid_state = construct_fluid_state(cv, tseed) + dv = fluid_state.dv + + try: + exact = None + component_errors = None + + if logmgr: + logmgr.tick_before() + + from mirgecom.simutil import check_step + do_viz = check_step(step=step, interval=nviz) + do_restart = check_step(step=step, interval=nrestart) + do_health = check_step(step=step, interval=nhealth) + do_status = check_step(step=step, interval=nstatus) + + if do_health: + exact = initializer(x_vec=nodes, eos=eos, time=t) + from mirgecom.simutil import compare_fluid_solutions + component_errors = compare_fluid_solutions(dcoll, cv, exact) + health_errors = global_reduce( + my_health_check(dv, component_errors), op="lor") + if health_errors: + if rank == 0: + logger.info("Fluid solution failed health check.") + raise MyRuntimeError("Failed simulation health check.") + + if do_restart: + my_write_restart(step=step, t=t, state=cv, tseed=tseed) + + if do_viz: + if exact is None: + exact = initializer(x_vec=nodes, eos=eos, time=t) + resid = state - exact + my_write_viz(step=step, t=t, state=cv, dv=dv, exact=exact, + resid=resid) + + if do_status: + if component_errors is None: + if exact is None: + exact = initializer(x_vec=nodes, eos=eos, time=t) + from mirgecom.simutil import compare_fluid_solutions + component_errors = compare_fluid_solutions(dcoll, cv, exact) + my_write_status(component_errors, dv=dv) + + except MyRuntimeError: + if rank == 0: + logger.info("Errors detected; attempting graceful exit.") + my_write_viz(step=step, t=t, state=cv, dv=dv) + my_write_restart(step=step, t=t, state=cv, tseed=tseed) + raise + + dt = get_sim_timestep(dcoll, fluid_state, t, dt, current_cfl, t_final, + constant_cfl) + return state, dt + + def my_post_step(step, t, dt, state): + cv, tseed = state + fluid_state = construct_fluid_state(cv, tseed) + tseed = fluid_state.temperature + # Logmgr needs to know about EOS, dt, dim? + # imo this is a design/scope flaw + if logmgr: + set_dt(logmgr, dt) + set_sim_state(logmgr, dim, cv, eos) + logmgr.tick_after() + return make_obj_array([fluid_state.cv, tseed]), dt + + def my_rhs(t, state): + cv, tseed = state + fluid_state = make_fluid_state(cv, gas_model, temperature_seed=tseed) + return make_obj_array( + [euler_operator(dcoll, state=fluid_state, time=t, + boundaries=boundaries, gas_model=gas_model, + quadrature_tag=quadrature_tag, use_esdg=use_esdg), + 0*tseed]) + + current_dt = get_sim_timestep(dcoll, current_state, current_t, current_dt, + current_cfl, t_final, constant_cfl) + + current_step, current_t, advanced_state = \ + advance_state(rhs=my_rhs, timestepper=timestepper, + pre_step_callback=my_pre_step, + post_step_callback=my_post_step, dt=current_dt, + state=make_obj_array([current_state.cv, + current_state.temperature]), + t=current_t, t_final=t_final) + + # Dump the final data + if rank == 0: + logger.info("Checkpointing final state ...") + + current_cv, tseed = advanced_state + current_state = make_fluid_state(current_cv, gas_model, temperature_seed=tseed) + final_dv = current_state.dv + final_exact = initializer(x_vec=nodes, eos=eos, time=current_t) + final_resid = current_state.cv - final_exact + my_write_viz(step=current_step, t=current_t, state=current_cv, dv=final_dv, + exact=final_exact, resid=final_resid) + my_write_restart(step=current_step, t=current_t, state=current_state.cv, + tseed=tseed) + + if logmgr: + logmgr.close() + elif use_profiling: + print(actx.tabulate_profiling_data()) + + finish_tol = 1e-16 + assert np.abs(current_t - t_final) < finish_tol + + +if __name__ == "__main__": + import argparse + casename = "uiuc-mixture" + parser = argparse.ArgumentParser(description=f"MIRGE-Com Example: {casename}") + parser.add_argument("--lazy", action="store_true", + help="switch to a lazy computation mode") + parser.add_argument("--profiling", action="store_true", + help="turn on detailed performance profiling") + parser.add_argument("--overintegration", action="store_true", + help="use overintegration in the RHS computations") + parser.add_argument("--esdg", action="store_true", + help="use flux-differencing/entropy stable DG for inviscid computations.") + parser.add_argument("--leap", action="store_true", + help="use leap timestepper") + parser.add_argument("--numpy", action="store_true", + help="use numpy-based eager actx.") + parser.add_argument("--restart_file", help="root name of restart file") + parser.add_argument("--casename", help="casename to use for i/o") + args = parser.parse_args() + from warnings import warn + warn("Automatically turning off DV logging. MIRGE-Com Issue(578)") + log_dependent = False + + from mirgecom.simutil import ApplicationOptionsError + if args.esdg: + if not args.lazy and not args.numpy: + raise ApplicationOptionsError("ESDG requires lazy or numpy context.") + if not args.overintegration: + warn("ESDG requires overintegration, enabling --overintegration.") + + from mirgecom.array_context import get_reasonable_array_context_class + actx_class = get_reasonable_array_context_class( + lazy=args.lazy, distributed=True, profiling=args.profiling, numpy=args.numpy) + + logging.basicConfig(format="%(message)s", level=logging.INFO) + if args.casename: + casename = args.casename + rst_filename = None + + if args.restart_file: + rst_filename = args.restart_file + + main(actx_class, use_leap=args.leap, + casename=casename, rst_filename=rst_filename, + use_overintegration=args.overintegration or args.esdg, + use_esdg=args.esdg, log_dependent=log_dependent) + +# vim: foldmethod=marker diff --git a/examples/multivolume_quads.msh 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102 103 +4313 3 2 2 2 4134 4135 101 102 +4314 3 2 2 2 4135 4136 100 101 +4315 3 2 2 2 4136 4137 99 100 +4316 3 2 2 2 4137 4138 98 99 +4317 3 2 2 2 4138 4139 97 98 +4318 3 2 2 2 4139 4140 96 97 +4319 3 2 2 2 4140 4141 95 96 +4320 3 2 2 2 4141 183 3 95 +$EndElements diff --git a/examples/poiseuille-tpe.py b/examples/poiseuille-tpe.py new file mode 100644 index 000000000..cb9b0364c --- /dev/null +++ b/examples/poiseuille-tpe.py @@ -0,0 +1,507 @@ +"""Demonstrate a planar Poiseuille flow example.""" + +__copyright__ = """ +Copyright (C) 2020 University of Illinois Board of Trustees +""" + +__license__ = """ +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in +all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN +THE SOFTWARE. +""" +import logging +import numpy as np +from pytools.obj_array import make_obj_array +from functools import partial +from meshmode.mesh import BTAG_ALL, BTAG_NONE # noqa + +from grudge.shortcuts import make_visualizer +from grudge.dof_desc import BoundaryDomainTag, DISCR_TAG_QUAD + +from mirgecom.discretization import create_discretization_collection +from mirgecom.fluid import make_conserved +from mirgecom.navierstokes import ns_operator +from mirgecom.simutil import ( + get_sim_timestep, + get_box_mesh +) +from mirgecom.io import make_init_message +from mirgecom.mpi import mpi_entry_point +from mirgecom.integrators import rk4_step +from mirgecom.steppers import advance_state +from mirgecom.boundary import ( + PrescribedFluidBoundary, + AdiabaticNoslipWallBoundary, + IsothermalWallBoundary +) +from mirgecom.transport import SimpleTransport +from mirgecom.eos import IdealSingleGas +from mirgecom.gas_model import GasModel, make_fluid_state +from logpyle import IntervalTimer, set_dt +from mirgecom.euler import extract_vars_for_logging, units_for_logging +from mirgecom.logging_quantities import ( + initialize_logmgr, + logmgr_add_many_discretization_quantities, + logmgr_add_cl_device_info, + logmgr_add_device_memory_usage, + set_sim_state +) + +logger = logging.getLogger(__name__) + + +class MyRuntimeError(RuntimeError): + """Simple exception to kill the simulation.""" + + pass + + +@mpi_entry_point +def main(actx_class, use_esdg=False, use_overintegration=False, + use_leap=False, casename=None, rst_filename=None, use_tpe=True): + """Drive the example.""" + if casename is None: + casename = "mirgecom" + + from mpi4py import MPI + comm = MPI.COMM_WORLD + rank = comm.Get_rank() + nparts = comm.Get_size() + + from mirgecom.simutil import global_reduce as _global_reduce + global_reduce = partial(_global_reduce, comm=comm) + + logmgr = initialize_logmgr(True, + filename=f"{casename}.sqlite", mode="wu", mpi_comm=comm) + + from mirgecom.array_context import initialize_actx, actx_class_is_profiling + actx = initialize_actx(actx_class, comm, + use_axis_tag_inference_fallback=True, + use_einsum_inference_fallback=True) + queue = getattr(actx, "queue", None) + use_profiling = actx_class_is_profiling(actx_class) + + # timestepping control + timestepper = rk4_step + t_final = 1e-7 + current_cfl = 0.05 + current_dt = 1e-10 + current_t = 0 + constant_cfl = True + current_step = 0 + + # some i/o frequencies + nstatus = 1 + nviz = 1 + nrestart = 10 + nhealth = 1 + + # some geometry setup + dim = 2 + if dim != 2: + raise ValueError("This example must be run with dim = 2.") + left_boundary_location = 0 + right_boundary_location = 0.1 + ybottom = 0. + ytop = .02 + rst_path = "restart_data/" + rst_pattern = ( + rst_path + "{cname}-{step:04d}-{rank:04d}.pkl" + ) + if rst_filename: # read the grid from restart data + rst_filename = f"{rst_filename}-{rank:04d}.pkl" + + from mirgecom.restart import read_restart_data + restart_data = read_restart_data(actx, rst_filename) + local_mesh = restart_data["local_mesh"] + local_nelements = local_mesh.nelements + global_nelements = restart_data["global_nelements"] + assert restart_data["nparts"] == nparts + else: # generate the grid from scratch + n_refine = 2 + nels_x = 9 * n_refine + nels_y = 5 * n_refine + nels_axis = (nels_x, nels_y) + box_ll = (left_boundary_location, ybottom) + box_ur = (right_boundary_location, ytop) + generate_mesh = partial(get_box_mesh, 2, a=box_ll, b=box_ur, n=nels_axis, + tensor_product_elements=use_tpe) + from mirgecom.simutil import generate_and_distribute_mesh + local_mesh, global_nelements = generate_and_distribute_mesh(comm, + generate_mesh) + local_nelements = local_mesh.nelements + + # from meshmode.mesh.processing import rotate_mesh_around_axis + # local_mesh = rotate_mesh_around_axis(local_mesh, theta=-np.pi/4) + + order = 2 + dcoll = create_discretization_collection(actx, local_mesh, order=order, + quadrature_order=order+2, + tensor_product_elements=use_tpe) + nodes = actx.thaw(dcoll.nodes()) + + if use_overintegration: + quadrature_tag = DISCR_TAG_QUAD + else: + quadrature_tag = None + + if logmgr: + logmgr_add_cl_device_info(logmgr, queue) + logmgr_add_device_memory_usage(logmgr, queue) + logmgr_add_many_discretization_quantities(logmgr, dcoll, dim, + extract_vars_for_logging, units_for_logging) + + logmgr.add_watches([ + ("step.max", "step = {value}, "), + ("t_sim.max", "sim time: {value:1.6e} s\n"), + ("min_pressure", "------- P (min, max) (Pa) = ({value:1.9e}, "), + ("max_pressure", "{value:1.9e})\n"), + ("min_temperature", "------- T (min, max) (K) = ({value:1.9e}, "), + ("max_temperature", "{value:1.9e})\n"), + ("t_step.max", "------- step walltime: {value:6g} s, "), + ("t_log.max", "log walltime: {value:6g} s") + ]) + + vis_timer = IntervalTimer("t_vis", "Time spent visualizing") + logmgr.add_quantity(vis_timer) + + base_pressure = 100000.0 + pressure_ratio = 1.001 + mu = 1.0 + + def poiseuille_2d(x_vec, eos, cv=None, **kwargs): + y = x_vec[1] + x = x_vec[0] + x0 = left_boundary_location + xmax = right_boundary_location + xlen = xmax - x0 + p_low = base_pressure + p_hi = pressure_ratio*base_pressure + dp = p_hi - p_low + dpdx = dp/xlen + h = ytop - ybottom + u_x = dpdx*y*(h - y)/(2*mu) + p_x = p_hi - dpdx*x + rho = 1.0 + mass = 0*x + rho + u_y = 0*x + velocity = make_obj_array([u_x, u_y]) + ke = .5*np.dot(velocity, velocity)*mass + gamma = eos.gamma() + # if cv is not None: + # mass = cv.mass + # vel = cv.velocity + # ke = .5*np.dot(vel, vel)*mass + + rho_e = p_x/(gamma-1) + ke + return make_conserved(2, mass=mass, energy=rho_e, + momentum=mass*velocity) + + initializer = poiseuille_2d + gas_model = GasModel(eos=IdealSingleGas(), + transport=SimpleTransport(viscosity=mu)) + + from mirgecom.simutil import force_evaluation + exact = force_evaluation(actx, initializer(x_vec=nodes, eos=gas_model.eos)) + + def _boundary_solution(dcoll, dd_bdry, gas_model, state_minus, **kwargs): + actx = state_minus.array_context + bnd_discr = dcoll.discr_from_dd(dd_bdry) + nodes = actx.thaw(bnd_discr.nodes()) + return make_fluid_state(initializer(x_vec=nodes, eos=gas_model.eos, + cv=state_minus.cv, **kwargs), gas_model) + + use_adiabatic = False + if use_adiabatic: + wall_boundary = AdiabaticNoslipWallBoundary() + else: + wall_boundary = IsothermalWallBoundary(wall_temperature=300) + + boundaries = { + BoundaryDomainTag("-1"): + PrescribedFluidBoundary( + boundary_state_func=_boundary_solution), + BoundaryDomainTag("+1"): + PrescribedFluidBoundary( + boundary_state_func=_boundary_solution), + BoundaryDomainTag("-2"): wall_boundary, + BoundaryDomainTag("+2"): wall_boundary} + + if rst_filename: + current_t = restart_data["t"] + current_step = restart_data["step"] + current_cv = restart_data["cv"] + if logmgr: + from mirgecom.logging_quantities import logmgr_set_time + logmgr_set_time(logmgr, current_step, current_t) + else: + # Set the current state from time 0 + current_cv = exact + + def _make_fluid_state(cv): + return make_fluid_state(cv=cv, gas_model=gas_model) + + make_fluid_state_compiled = actx.compile(_make_fluid_state) + + current_state = make_fluid_state_compiled(current_cv) + + vis_timer = None + + visualizer = make_visualizer(dcoll, order) + + eosname = gas_model.eos.__class__.__name__ + init_message = make_init_message(dim=dim, order=order, + nelements=local_nelements, + global_nelements=global_nelements, + dt=current_dt, t_final=t_final, nstatus=nstatus, + nviz=nviz, cfl=current_cfl, + constant_cfl=constant_cfl, initname=casename, + eosname=eosname, casename=casename) + if rank == 0: + logger.info(init_message) + + def my_write_status(step, t, dt, state, component_errors): + dv = state.dv + from grudge.op import nodal_min, nodal_max + p_min = actx.to_numpy(nodal_min(dcoll, "vol", dv.pressure)) + p_max = actx.to_numpy(nodal_max(dcoll, "vol", dv.pressure)) + t_min = actx.to_numpy(nodal_min(dcoll, "vol", dv.temperature)) + t_max = actx.to_numpy(nodal_max(dcoll, "vol", dv.temperature)) + if constant_cfl: + cfl = current_cfl + else: + from mirgecom.viscous import get_viscous_cfl + cfl = actx.to_numpy(nodal_max(dcoll, "vol", + get_viscous_cfl(dcoll, dt, state))) + if rank == 0: + logger.info(f"Step: {step}, T: {t}, DT: {dt}, CFL: {cfl}\n" + f"----- Pressure({p_min}, {p_max})\n" + f"----- Temperature({t_min}, {t_max})\n" + "----- errors=" + + ", ".join("%.3g" % en for en in component_errors)) + + def my_write_viz(step, t, state, dv): + resid = state - exact + viz_fields = [("cv", state), + ("dv", dv), + ("poiseuille", exact), + ("resid", resid)] + + from mirgecom.simutil import write_visfile + write_visfile(dcoll, viz_fields, visualizer, vizname=casename, + step=step, t=t, overwrite=True, comm=comm) + + def my_write_restart(step, t, state): + rst_fname = rst_pattern.format(cname=casename, step=step, rank=rank) + if rst_fname != rst_filename: + rst_data = { + "local_mesh": local_mesh, + "cv": state, + "t": t, + "step": step, + "order": order, + "global_nelements": global_nelements, + "num_parts": nparts + } + from mirgecom.restart import write_restart_file + write_restart_file(actx, rst_data, rst_fname, comm) + + def my_health_check(state, dv, component_errors): + health_error = False + from mirgecom.simutil import check_naninf_local, check_range_local + if check_naninf_local(dcoll, "vol", dv.pressure): + health_error = True + logger.info(f"{rank=}: NANs/Infs in pressure data.") + + if global_reduce(check_range_local(dcoll, "vol", dv.pressure, 9.999e4, + 1.00101e5), op="lor"): + health_error = True + from grudge.op import nodal_max, nodal_min + p_min = actx.to_numpy(nodal_min(dcoll, "vol", dv.pressure)) + p_max = actx.to_numpy(nodal_max(dcoll, "vol", dv.pressure)) + logger.info(f"Pressure range violation ({p_min=}, {p_max=})") + + if check_naninf_local(dcoll, "vol", dv.temperature): + health_error = True + logger.info(f"{rank=}: NANs/INFs in temperature data.") + + if global_reduce(check_range_local(dcoll, "vol", dv.temperature, 348, 350), + op="lor"): + health_error = True + from grudge.op import nodal_max, nodal_min + t_min = actx.to_numpy(nodal_min(dcoll, "vol", dv.temperature)) + t_max = actx.to_numpy(nodal_max(dcoll, "vol", dv.temperature)) + logger.info(f"Temperature range violation ({t_min=}, {t_max=})") + + exittol = 0.1 + if max(component_errors) > exittol: + health_error = True + if rank == 0: + logger.info("Solution diverged from exact soln.") + + return health_error + + def my_pre_step(step, t, dt, state): + + fluid_state = make_fluid_state_compiled(cv=state) + dv = fluid_state.dv + + try: + component_errors = None + + if logmgr: + logmgr.tick_before() + + from mirgecom.simutil import check_step + do_viz = check_step(step=step, interval=nviz) + do_restart = check_step(step=step, interval=nrestart) + do_health = check_step(step=step, interval=nhealth) + do_status = check_step(step=step, interval=nstatus) + + if do_health: + from mirgecom.simutil import compare_fluid_solutions + component_errors = compare_fluid_solutions(dcoll, state, exact) + health_errors = global_reduce( + my_health_check(state, dv, component_errors), op="lor") + if health_errors: + if rank == 0: + logger.info("Fluid solution failed health check.") + raise MyRuntimeError("Failed simulation health check.") + + if do_restart: + my_write_restart(step=step, t=t, state=state) + + if do_viz: + my_write_viz(step=step, t=t, state=state, dv=dv) + + dt = get_sim_timestep(dcoll, fluid_state, t, dt, current_cfl, + t_final, constant_cfl) + + if do_status: # needed because logging fails to make output + if component_errors is None: + from mirgecom.simutil import compare_fluid_solutions + component_errors = compare_fluid_solutions(dcoll, state, exact) + my_write_status(step=step, t=t, dt=dt, state=fluid_state, + component_errors=component_errors) + + except MyRuntimeError: + if rank == 0: + logger.info("Errors detected; attempting graceful exit.") + my_write_viz(step=step, t=t, state=state, dv=dv) + my_write_restart(step=step, t=t, state=state) + raise + + return state, dt + + def my_post_step(step, t, dt, state): + # Logmgr needs to know about EOS, dt, dim? + # imo this is a design/scope flaw + if logmgr: + set_dt(logmgr, dt) + set_sim_state(logmgr, dim, state, gas_model.eos) + logmgr.tick_after() + return state, dt + + def my_rhs(t, state): + fluid_state = make_fluid_state(state, gas_model) + return ns_operator(dcoll, gas_model=gas_model, + boundaries=boundaries, + state=fluid_state, time=t, use_esdg=use_esdg, + quadrature_tag=quadrature_tag) + + from mirgecom.simutil import force_evaluation + current_state = force_evaluation(actx, current_state) + + current_dt = get_sim_timestep(dcoll, current_state, current_t, current_dt, + current_cfl, t_final, constant_cfl) + + current_step, current_t, current_cv = \ + advance_state(rhs=my_rhs, timestepper=timestepper, + pre_step_callback=my_pre_step, + post_step_callback=my_post_step, dt=current_dt, + state=current_state.cv, t=current_t, t_final=t_final) + + current_state = make_fluid_state(cv=current_cv, gas_model=gas_model) + + # Dump the final data + if rank == 0: + logger.info("Checkpointing final state ...") + + final_dv = current_state.dv + final_dt = get_sim_timestep(dcoll, current_state, current_t, current_dt, + current_cfl, t_final, constant_cfl) + from mirgecom.simutil import compare_fluid_solutions + component_errors = compare_fluid_solutions(dcoll, current_state.cv, exact) + + my_write_viz(step=current_step, t=current_t, state=current_state.cv, dv=final_dv) + my_write_restart(step=current_step, t=current_t, state=current_state) + my_write_status(step=current_step, t=current_t, dt=final_dt, + state=current_state, component_errors=component_errors) + + if logmgr: + logmgr.close() + elif use_profiling: + print(actx.tabulate_profiling_data()) + + finish_tol = 1e-16 + assert np.abs(current_t - t_final) < finish_tol + + +if __name__ == "__main__": + import argparse + casename = "poiseuille" + parser = argparse.ArgumentParser(description=f"MIRGE-Com Example: {casename}") + parser.add_argument("--overintegration", action="store_true", + help="use overintegration in the RHS computations") + parser.add_argument("--lazy", action="store_true", + help="switch to a lazy computation mode") + parser.add_argument("--esdg", action="store_true", + help="use flux-differencing/entropy stable DG for inviscid computations.") + parser.add_argument("--profiling", action="store_true", + help="turn on detailed performance profiling") + parser.add_argument("--leap", action="store_true", + help="use leap timestepper") + parser.add_argument("--numpy", action="store_true", + help="use numpy-based eager actx.") + parser.add_argument("--restart_file", help="root name of restart file") + parser.add_argument("--casename", help="casename to use for i/o") + args = parser.parse_args() + + from warnings import warn + from mirgecom.simutil import ApplicationOptionsError + if args.esdg: + if not args.lazy and not args.numpy: + raise ApplicationOptionsError("ESDG requires lazy or numpy context.") + if not args.overintegration: + warn("ESDG requires overintegration, enabling --overintegration.") + + from mirgecom.array_context import get_reasonable_array_context_class + actx_class = get_reasonable_array_context_class( + lazy=args.lazy, distributed=True, profiling=args.profiling, numpy=args.numpy) + + logging.basicConfig(format="%(message)s", level=logging.INFO) + if args.casename: + casename = args.casename + rst_filename = None + if args.restart_file: + rst_filename = args.restart_file + + main(actx_class, use_leap=args.leap, use_esdg=args.esdg, + use_overintegration=args.overintegration or args.esdg, + casename=casename, rst_filename=rst_filename) + +# vim: foldmethod=marker diff --git a/examples/pulse-tpe.py b/examples/pulse-tpe.py index a05eab1c7..50d10e84f 100644 --- a/examples/pulse-tpe.py +++ b/examples/pulse-tpe.py @@ -93,7 +93,9 @@ def main(actx_class, use_esdg=False, use_tpe=True, filename=f"{casename}.sqlite", mode="wu", mpi_comm=comm) from mirgecom.array_context import initialize_actx, actx_class_is_profiling - actx = initialize_actx(actx_class, comm) + actx = initialize_actx(actx_class, comm, + use_axis_tag_inference_fallback=True, + use_einsum_inference_fallback=True) queue = getattr(actx, "queue", None) use_profiling = actx_class_is_profiling(actx_class) @@ -346,8 +348,6 @@ def my_rhs(t, state): help="use numpy-based eager actx.") parser.add_argument("--restart_file", help="root name of restart file") parser.add_argument("--casename", help="casename to use for i/o") - parser.add_argument("--tpe", action="store_true", - help="Use tensor product (quad/hex) elements.") args = parser.parse_args() from warnings import warn @@ -373,7 +373,6 @@ def my_rhs(t, state): main(actx_class, use_esdg=args.esdg, use_overintegration=args.overintegration or args.esdg, - use_leap=args.leap, use_tpe=args.tpe, - casename=casename, rst_filename=rst_filename) + use_leap=args.leap, casename=casename, rst_filename=rst_filename) # vim: foldmethod=marker diff --git a/examples/thermally-coupled-tpe.py b/examples/thermally-coupled-tpe.py new file mode 100644 index 000000000..a733c4fdc --- /dev/null +++ b/examples/thermally-coupled-tpe.py @@ -0,0 +1,620 @@ +"""Demonstrate multiple coupled volumes.""" + +__copyright__ = """ +Copyright (C) 2020 University of Illinois Board of Trustees +""" + +__license__ = """ +Permission is hereby granted, free of charge, to any person obtaining a copy +of this software and associated documentation files (the "Software"), to deal +in the Software without restriction, including without limitation the rights +to use, copy, modify, merge, publish, distribute, sublicense, and/or sell +copies of the Software, and to permit persons to whom the Software is +furnished to do so, subject to the following conditions: + +The above copyright notice and this permission notice shall be included in +all copies or substantial portions of the Software. + +THE SOFTWARE IS PROVIDED "AS IS", WITHOUT WARRANTY OF ANY KIND, EXPRESS OR +IMPLIED, INCLUDING BUT NOT LIMITED TO THE WARRANTIES OF MERCHANTABILITY, +FITNESS FOR A PARTICULAR PURPOSE AND NONINFRINGEMENT. IN NO EVENT SHALL THE +AUTHORS OR COPYRIGHT HOLDERS BE LIABLE FOR ANY CLAIM, DAMAGES OR OTHER +LIABILITY, WHETHER IN AN ACTION OF CONTRACT, TORT OR OTHERWISE, ARISING FROM, +OUT OF OR IN CONNECTION WITH THE SOFTWARE OR THE USE OR OTHER DEALINGS IN +THE SOFTWARE. +""" + +import logging +import os +from mirgecom.mpi import mpi_entry_point +import numpy as np +from functools import partial +from pytools.obj_array import make_obj_array + +from meshmode.mesh import BTAG_ALL, BTAG_NONE # noqa +from meshmode.discretization.connection import FACE_RESTR_ALL # noqa +from grudge.shortcuts import make_visualizer +from grudge.op import nodal_min, nodal_max + +from grudge.dof_desc import ( + VolumeDomainTag, + DISCR_TAG_BASE, + DISCR_TAG_QUAD, + DOFDesc, +) +from mirgecom.diffusion import NeumannDiffusionBoundary +from mirgecom.discretization import create_discretization_collection +from mirgecom.simutil import ( + get_sim_timestep, +) +from mirgecom.io import make_init_message + +from mirgecom.integrators import rk4_step +from mirgecom.steppers import advance_state +from mirgecom.boundary import ( + IsothermalWallBoundary, +) +from mirgecom.eos import IdealSingleGas +from mirgecom.transport import SimpleTransport +from mirgecom.fluid import make_conserved +from mirgecom.gas_model import ( + GasModel, + make_fluid_state, +) +from logpyle import IntervalTimer, set_dt +from mirgecom.euler import extract_vars_for_logging +from mirgecom.logging_quantities import ( + initialize_logmgr, + logmgr_add_many_discretization_quantities, + logmgr_add_cl_device_info, + logmgr_add_device_memory_usage, + set_sim_state +) +from mirgecom.multiphysics.thermally_coupled_fluid_wall import ( + basic_coupled_ns_heat_operator as coupled_ns_heat_operator, +) + +logger = logging.getLogger(__name__) + + +class MyRuntimeError(RuntimeError): + """Simple exception to kill the simulation.""" + + pass + + +@mpi_entry_point +def main(actx_class, use_esdg=False, use_overintegration=False, + use_leap=False, casename=None, rst_filename=None, use_tpe=True): + """Drive the example.""" + if casename is None: + casename = "mirgecom" + + from mpi4py import MPI + comm = MPI.COMM_WORLD + rank = comm.Get_rank() + num_ranks = comm.Get_size() + + from mirgecom.simutil import global_reduce as _global_reduce + global_reduce = partial(_global_reduce, comm=comm) + + logmgr = initialize_logmgr(True, + filename=f"{casename}.sqlite", mode="wu", mpi_comm=comm) + + from mirgecom.array_context import initialize_actx, actx_class_is_profiling + actx = initialize_actx(actx_class, comm, + use_axis_tag_inference_fallback=True, + use_einsum_inference_fallback=True) + queue = getattr(actx, "queue", None) + use_profiling = actx_class_is_profiling(actx_class) + + # timestepping control + current_step = 0 + if use_leap: + from leap.rk import RK4MethodBuilder + timestepper = RK4MethodBuilder("state") + else: + timestepper = rk4_step + current_dt = 1e-8 + nsteps = 20 + t_final = nsteps * current_dt + current_cfl = 1.0 + current_t = 0 + constant_cfl = False + + final_time_error = t_final/current_dt - np.around(t_final/current_dt) + assert np.abs(final_time_error) < 1e-10, final_time_error + + # some i/o frequencies + nstatus = 1 + nrestart = 500 + nviz = 10 + nhealth = 1 + + dim = 2 + rst_path = "restart_data/" + rst_pattern = ( + rst_path + "{cname}-{step:04d}-{rank:04d}.pkl" + ) + local_path = os.path.dirname(os.path.abspath(__file__)) + grid_file_name = local_path + "/multivolume_quads.msh" + + if rst_filename: # read the grid from restart data + rst_filename = f"{rst_filename}-{rank:04d}.pkl" + from mirgecom.restart import read_restart_data + restart_data = read_restart_data(actx, rst_filename) + volume_to_local_mesh = restart_data["volume_to_local_mesh"] + global_nelements = restart_data["global_nelements"] + assert restart_data["num_ranks"] == num_ranks + else: # generate the grid from scratch + def get_mesh_data(): + from meshmode.mesh.io import read_gmsh + # pylint: disable=unpacking-non-sequence + mesh, tag_to_elements = read_gmsh( + grid_file_name, force_ambient_dim=2, + return_tag_to_elements_map=True, + mesh_construction_kwargs={ + "skip_tests": True, + "force_positive_orientation": True}) + volume_to_tags = { + "Fluid": ["Upper"], + "Wall": ["Lower"]} + return mesh, tag_to_elements, volume_to_tags + + def partition_generator_func(mesh, tag_to_elements, num_ranks): + # assert num_ranks == 2 + # rank_per_element = np.empty(mesh.nelements) + # rank_per_element[tag_to_elements["Lower"]] = 0 + # rank_per_element[tag_to_elements["Upper"]] = 1 + # return rank_per_element + from meshmode.distributed import get_partition_by_pymetis + return get_partition_by_pymetis(mesh, num_ranks) + + from mirgecom.simutil import distribute_mesh + volume_to_local_mesh_data, global_nelements = distribute_mesh( + comm, get_mesh_data, partition_generator_func) + volume_to_local_mesh = { + vol: mesh + for vol, (mesh, _) in volume_to_local_mesh_data.items()} + + local_fluid_mesh = volume_to_local_mesh["Fluid"] + local_wall_mesh = volume_to_local_mesh["Wall"] + + local_nelements = local_fluid_mesh.nelements + local_wall_mesh.nelements + + order = 1 + dcoll = create_discretization_collection( + actx, volume_to_local_mesh, order=order, + quadrature_order=order+2, + tensor_product_elements=use_tpe) + + dd_vol_fluid = DOFDesc(VolumeDomainTag("Fluid"), DISCR_TAG_BASE) + dd_vol_wall = DOFDesc(VolumeDomainTag("Wall"), DISCR_TAG_BASE) + + fluid_nodes = actx.thaw(dcoll.nodes(dd_vol_fluid)) + wall_nodes = actx.thaw(dcoll.nodes(dd_vol_wall)) + + fluid_ones = 0*fluid_nodes[0] + 1 + wall_ones = 0*wall_nodes[0] + 1 + + if use_overintegration: + quadrature_tag = DISCR_TAG_QUAD + else: + quadrature_tag = DISCR_TAG_BASE + + vis_timer = None + + if logmgr: + logmgr_add_cl_device_info(logmgr, queue) + logmgr_add_device_memory_usage(logmgr, queue) + + def extract_fluid_vars(dim, state, eos): + cv = state[0] + name_to_field = extract_vars_for_logging(dim, cv, eos) + return { + name + "_Fluid": field + for name, field in name_to_field.items()} + + def units(quantity): + return "" + + logmgr_add_many_discretization_quantities( + logmgr, dcoll, dim, extract_fluid_vars, units, dd=dd_vol_fluid) + + vis_timer = IntervalTimer("t_vis", "Time spent visualizing") + logmgr.add_quantity(vis_timer) + + logmgr.add_watches([ + ("step.max", "step = {value}, "), + ("t_sim.max", "sim time: {value:1.6e} s\n"), + ("min_pressure_Fluid", "------- P (min, max) (Pa) = ({value:1.9e}, "), + ("max_pressure_Fluid", "{value:1.9e})\n"), + ("t_step.max", "------- step walltime: {value:6g} s, "), + ("t_log.max", "log walltime: {value:6g} s") + ]) + + x_scale = 1 + + gamma = 1.4 + r = 285.71300152552493 + mu = 4.216360056e-05/x_scale + fluid_kappa = 0.05621788139856423*x_scale + eos = IdealSingleGas(gamma=gamma, gas_const=r) + transport = SimpleTransport( + viscosity=mu, + thermal_conductivity=fluid_kappa) + gas_model = GasModel(eos=eos, transport=transport) + + fluid_pressure = 4935.22/x_scale + fluid_temperature = 300 + fluid_density = fluid_pressure/fluid_temperature/r + wall_density = fluid_density + wall_heat_capacity = 50*eos.heat_capacity_cp() + wall_kappa = 10*fluid_kappa*wall_ones + + wall_time_scale = 200 + + isothermal_wall_temp = 300 + + def smooth_step(actx, x, epsilon=1e-12): + y = actx.np.minimum(actx.np.maximum(x, 0*x), 0*x+1) + return (1 - actx.np.cos(np.pi*y))/2 + + if rst_filename: + current_t = restart_data["t"] + current_step = restart_data["step"] + current_cv = restart_data["cv"] + current_wall_temperature = restart_data["wall_temperature"] + if logmgr: + from mirgecom.logging_quantities import logmgr_set_time + logmgr_set_time(logmgr, current_step, current_t) + else: + # Set the current state from time 0 + pressure = 4935.22/x_scale + temperature = isothermal_wall_temp * fluid_ones + sigma = 500/x_scale + offset = 0 + smoothing = ( + fluid_ones + * smooth_step(actx, sigma*(fluid_nodes[1]+offset)) + * smooth_step(actx, sigma*(-(fluid_nodes[1]-0.02*x_scale)+offset)) + * smooth_step(actx, sigma*(fluid_nodes[0]+0.02*x_scale+offset)) + * smooth_step(actx, sigma*(-(fluid_nodes[0]-0.02*x_scale)+offset))) + temperature = ( + isothermal_wall_temp + + (temperature - isothermal_wall_temp) * smoothing) + mass = pressure/temperature/r * fluid_ones + mom = make_obj_array([0*mass]*dim) + energy = (pressure/(gamma - 1.0)) + np.dot(mom, mom)/(2.0*mass) + current_cv = make_conserved( + dim=dim, + mass=mass, + momentum=mom, + energy=energy) + + current_wall_temperature = isothermal_wall_temp * wall_ones + + current_state = make_obj_array([current_cv, current_wall_temperature]) + + fluid_boundaries = { + dd_vol_fluid.trace("Upper Sides").domain_tag: # pylint: disable=no-member + IsothermalWallBoundary(wall_temperature=isothermal_wall_temp)} + wall_boundaries = { + dd_vol_wall.trace("Lower Sides").domain_tag: # pylint: disable=no-member + NeumannDiffusionBoundary(0)} + + fluid_visualizer = make_visualizer(dcoll, volume_dd=dd_vol_fluid) + wall_visualizer = make_visualizer(dcoll, volume_dd=dd_vol_wall) + + from grudge.dt_utils import characteristic_lengthscales + wall_lengthscales = characteristic_lengthscales(actx, dcoll, dd=dd_vol_wall) + + initname = "thermally-coupled" + eosname = eos.__class__.__name__ + init_message = make_init_message(dim=dim, order=order, + nelements=local_nelements, + global_nelements=global_nelements, + dt=current_dt, t_final=t_final, nstatus=nstatus, + nviz=nviz, cfl=current_cfl, + constant_cfl=constant_cfl, initname=initname, + eosname=eosname, casename=casename) + if rank == 0: + logger.info(init_message) + + def my_get_timestep(step, t, state): + fluid_state = make_fluid_state(state[0], gas_model) + fluid_dt = get_sim_timestep( + dcoll, fluid_state, t, current_dt, current_cfl, t_final, + constant_cfl, fluid_dd=dd_vol_fluid) + if constant_cfl: + wall_alpha = ( + wall_time_scale + * wall_kappa/(wall_density * wall_heat_capacity)) + wall_dt = actx.to_numpy( + nodal_min( + dcoll, dd_vol_wall, + wall_lengthscales**2 * current_cfl/wall_alpha))[()] + else: + wall_dt = current_dt + return min(fluid_dt, wall_dt) + + def my_write_status(step, t, dt, fluid_state, wall_temperature): + dv = fluid_state.dv + p_min = actx.to_numpy(nodal_min(dcoll, dd_vol_fluid, dv.pressure)) + p_max = actx.to_numpy(nodal_max(dcoll, dd_vol_fluid, dv.pressure)) + fluid_t_min = actx.to_numpy(nodal_min(dcoll, dd_vol_fluid, dv.temperature)) + fluid_t_max = actx.to_numpy(nodal_max(dcoll, dd_vol_fluid, dv.temperature)) + wall_t_min = actx.to_numpy(nodal_min(dcoll, dd_vol_wall, wall_temperature)) + wall_t_max = actx.to_numpy(nodal_max(dcoll, dd_vol_wall, wall_temperature)) + if constant_cfl: + fluid_cfl = current_cfl + wall_cfl = current_cfl + else: + from mirgecom.viscous import get_viscous_cfl + fluid_cfl = actx.to_numpy( + nodal_max( + dcoll, dd_vol_fluid, get_viscous_cfl( + dcoll, dt, fluid_state, dd=dd_vol_fluid))) + wall_alpha = ( + wall_time_scale + * wall_kappa/(wall_density * wall_heat_capacity)) + wall_cfl = actx.to_numpy( + nodal_max( + dcoll, dd_vol_wall, + wall_alpha * dt/wall_lengthscales**2)) + if rank == 0: + logger.info(f"Step: {step}, T: {t}, DT: {dt}\n" + f"----- Fluid CFL: {fluid_cfl}, Wall CFL: {wall_cfl}\n" + f"----- Fluid Pressure({p_min}, {p_max})\n" + f"----- Fluid Temperature({fluid_t_min}, {fluid_t_max})\n" + f"----- Wall Temperature({wall_t_min}, {wall_t_max})\n") + + def _construct_fluid_state(cv): + return make_fluid_state(cv, gas_model=gas_model) + + construct_fluid_state = actx.compile(_construct_fluid_state) + + def my_write_viz(step, t, state, fluid_state=None): + cv = state[0] + wall_temperature = state[1] + if fluid_state is None: + fluid_state = construct_fluid_state(cv) + dv = fluid_state.dv + + ( + fluid_rhs, wall_rhs, grad_cv, fluid_grad_temperature, + wall_grad_temperature) = construct_rhs_and_gradients(t, state) + + fluid_viz_fields = [ + ("cv", cv), + ("dv", dv), + ("grad_cv_mass", grad_cv.mass), + ("grad_cv_energy", grad_cv.energy), + ("grad_cv_momentum_x", grad_cv.momentum[0]), + ("grad_cv_momentum_y", grad_cv.momentum[1]), + ("grad_t", fluid_grad_temperature), + ("rhs", fluid_rhs), + ("kappa", fluid_state.thermal_conductivity), + ] + wall_viz_fields = [ + ("temperature", wall_temperature), + ("grad_t", wall_grad_temperature), + ("rhs", wall_rhs), + ("kappa", wall_kappa), + ] + from mirgecom.simutil import write_visfile + write_visfile( + dcoll, fluid_viz_fields, fluid_visualizer, vizname=casename+"-fluid", + step=step, t=t, overwrite=True, vis_timer=vis_timer, comm=comm) + write_visfile( + dcoll, wall_viz_fields, wall_visualizer, vizname=casename+"-wall", + step=step, t=t, overwrite=True, vis_timer=vis_timer, comm=comm) + + def my_write_restart(step, t, state): + rst_fname = rst_pattern.format(cname=casename, step=step, rank=rank) + if rst_fname != rst_filename: + rst_data = { + "volume_to_local_mesh": volume_to_local_mesh, + "cv": state[0], + "wall_temperature": state[1], + "t": t, + "step": step, + "order": order, + "global_nelements": global_nelements, + "num_ranks": num_ranks + } + from mirgecom.restart import write_restart_file + write_restart_file(actx, rst_data, rst_fname, comm) + + def my_health_check(pressure): + health_error = False + from mirgecom.simutil import check_naninf_local, check_range_local + if check_naninf_local(dcoll, dd_vol_fluid, pressure): + health_error = True + logger.info(f"{rank=}: NANs/Infs in pressure data.") + + # default health status bounds + health_pres_min = 1.0e-1/x_scale + health_pres_max = 2.0e6/x_scale + + if global_reduce(check_range_local(dcoll, dd_vol_fluid, pressure, + health_pres_min, health_pres_max), + op="lor"): + health_error = True + p_min = actx.to_numpy(nodal_min(dcoll, dd_vol_fluid, pressure)) + p_max = actx.to_numpy(nodal_max(dcoll, dd_vol_fluid, pressure)) + logger.info(f"Pressure range violation ({p_min=}, {p_max=})") + + # FIXME: Check wall state + + return health_error + + def my_pre_step(step, t, dt, state): + fluid_state = make_fluid_state(state[0], gas_model) + wall_temperature = state[1] + dv = fluid_state.dv + + try: + if logmgr: + logmgr.tick_before() + + from mirgecom.simutil import check_step + do_status = check_step(step=step, interval=nstatus) + do_viz = check_step(step=step, interval=nviz) + do_restart = check_step(step=step, interval=nrestart) + do_health = check_step(step=step, interval=nhealth) + + if do_status: + my_write_status( + step=step, t=t, dt=dt, fluid_state=fluid_state, + wall_temperature=wall_temperature) + + if do_health: + health_errors = global_reduce(my_health_check(dv.pressure), op="lor") + if health_errors: + if rank == 0: + logger.info("Fluid solution failed health check.") + raise MyRuntimeError("Failed simulation health check.") + + if do_restart: + my_write_restart(step=step, t=t, state=state) + + if do_viz: + my_write_viz(step=step, t=t, state=state, fluid_state=fluid_state) + + except MyRuntimeError: + if rank == 0: + logger.info("Errors detected; attempting graceful exit.") + my_write_viz(step=step, t=t, state=state, fluid_state=fluid_state) + my_write_restart(step=step, t=t, state=state) + raise + + dt = my_get_timestep(step=step, t=t, state=state) + + return state, dt + + def my_post_step(step, t, dt, state): + # Logmgr needs to know about EOS, dt, dim? + # imo this is a design/scope flaw + if logmgr: + set_dt(logmgr, dt) + set_sim_state(logmgr, dim, state, eos) + logmgr.tick_after() + return state, dt + + fluid_nodes = actx.thaw(dcoll.nodes(dd_vol_fluid)) + + def my_rhs(t, state, return_gradients=False): + fluid_state = make_fluid_state(cv=state[0], gas_model=gas_model) + wall_temperature = state[1] + + ns_heat_result = coupled_ns_heat_operator( + dcoll, + gas_model, + dd_vol_fluid, dd_vol_wall, + fluid_boundaries, wall_boundaries, + fluid_state, wall_kappa, wall_temperature, + time=t, + quadrature_tag=quadrature_tag, + use_esdg=use_esdg, + return_gradients=return_gradients) + + if return_gradients: + ( + fluid_rhs, wall_energy_rhs, fluid_grad_cv, fluid_grad_temperature, + wall_grad_temperature) = ns_heat_result + else: + fluid_rhs, wall_energy_rhs = ns_heat_result + + wall_rhs = ( + wall_time_scale + * wall_energy_rhs/(wall_density * wall_heat_capacity)) + from dataclasses import replace + fluid_rhs = replace( + fluid_rhs, + energy=fluid_rhs.energy + ( + 1e9 + * actx.np.exp( + -(fluid_nodes[0]**2+(fluid_nodes[1]-0.005)**2)/0.004**2) + * actx.np.exp(-t/5e-6))) + + if return_gradients: + return make_obj_array([ + fluid_rhs, wall_rhs, fluid_grad_cv, fluid_grad_temperature, + wall_grad_temperature]) + else: + return make_obj_array([fluid_rhs, wall_rhs]) + + def my_rhs_and_gradients(t, state): + return my_rhs(t, state, return_gradients=True) + + construct_rhs_and_gradients = actx.compile(my_rhs_and_gradients) + + current_dt = my_get_timestep(step=current_step, t=current_t, state=current_state) + + current_step, current_t, current_state = \ + advance_state(rhs=my_rhs, timestepper=timestepper, + pre_step_callback=my_pre_step, + post_step_callback=my_post_step, dt=current_dt, + istep=current_step, state=current_state, t=current_t, + t_final=t_final) + + # Dump the final data + if rank == 0: + logger.info("Checkpointing final state ...") + my_write_viz(step=current_step, t=current_t, state=current_state) + my_write_restart(step=current_step, t=current_t, state=current_state) + + if logmgr: + logmgr.close() + elif use_profiling: + print(actx.tabulate_profiling_data()) + + finish_tol = 1e-16 + assert np.abs(current_t - t_final) < finish_tol + + +if __name__ == "__main__": + import argparse + casename = "thermally-coupled" + parser = argparse.ArgumentParser(description=f"MIRGE-Com Example: {casename}") + parser.add_argument("--overintegration", action="store_true", + help="use overintegration in the RHS computations") + parser.add_argument("--lazy", action="store_true", + help="switch to a lazy computation mode") + parser.add_argument("--profiling", action="store_true", + help="turn on detailed performance profiling") + parser.add_argument("--esdg", action="store_true", + help="use entropy-stable operator") + parser.add_argument("--leap", action="store_true", + help="use leap timestepper") + parser.add_argument("--numpy", action="store_true", + help="use numpy-based eager actx.") + parser.add_argument("--restart_file", help="root name of restart file") + parser.add_argument("--casename", help="casename to use for i/o") + args = parser.parse_args() + + from warnings import warn + from mirgecom.simutil import ApplicationOptionsError + if args.esdg: + if not args.lazy and not args.numpy: + raise ApplicationOptionsError("ESDG requires lazy or numpy context.") + if not args.overintegration: + warn("ESDG requires overintegration, enabling --overintegration.") + + from mirgecom.array_context import get_reasonable_array_context_class + actx_class = get_reasonable_array_context_class( + lazy=args.lazy, distributed=True, profiling=args.profiling, numpy=args.numpy) + + logging.basicConfig(format="%(message)s", level=logging.INFO) + if args.casename: + casename = args.casename + rst_filename = None + if args.restart_file: + rst_filename = args.restart_file + + main(actx_class, use_esdg=args.esdg, + use_overintegration=args.overintegration or args.esdg, + use_leap=args.leap, casename=casename, rst_filename=rst_filename) + +# vim: foldmethod=marker