[1D/Python] Introduce 'auto' option to Sim1D.solve
Specifying this option allows the user to automatically execute the efficient sequence of solving on the initial grid, enabling the energy equation, refining, tightening tolerances, and enabling multicomponent transport in a single call to Sim1D.solve.
This commit is contained in:
Ray Speth
parent
7d14677db2
commit
d2793c07a1
3 changed files with 110 additions and 9 deletions
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@ -962,6 +962,7 @@ cdef class ReactorNet:
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cdef class Domain1D:
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cdef CxxDomain1D* domain
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cdef _SolutionBase gas
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cdef public pybool have_user_tolerances
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cdef class Boundary1D(Domain1D):
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cdef CxxBdry1D* boundary
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@ -622,7 +622,7 @@ class CounterflowDiffusionFlame(FlameBase):
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for k,spec in enumerate(self.gas.species_names):
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self.set_profile(spec, zrel, Y[:,k])
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def solve(self, loglevel=1, refine_grid=True):
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def solve(self, loglevel=1, refine_grid=True, auto=False):
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"""
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Solve the problem.
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@ -631,9 +631,16 @@ class CounterflowDiffusionFlame(FlameBase):
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suppresses all output, and 5 produces very verbose output.
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:param refine_grid:
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if True, enable grid refinement.
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:param auto: if True, sequentially execute the different solution stages
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and attempt to automatically recover from errors. Attempts to first
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solve on the initial grid with energy enabled. If that does not
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succeed, a fixed-temperature solution will be tried followed by
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enabling the energy equation, and then with grid refinement enabled.
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If non-default tolerances have been specified or multicomponent
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transport is enabled, an additional solution using these options
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will be calculated.
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"""
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super(CounterflowDiffusionFlame, self).solve(loglevel, refine_grid)
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super(CounterflowDiffusionFlame, self).solve(loglevel, refine_grid, auto)
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# Do some checks if loglevel is set
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if loglevel > 0:
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# Check if flame is extinct
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@ -13,6 +13,7 @@ cdef class Domain1D:
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self.name = name
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self.gas = phase
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self.have_user_tolerances = False
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property index:
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"""
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@ -69,7 +70,8 @@ cdef class Domain1D:
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for name,(lower,upper) in kwargs.items():
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self.domain.setBounds(self.component_index(name), lower, upper)
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def set_steady_tolerances(self, *, default=None, Y=None, **kwargs):
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def set_steady_tolerances(self, *, default=None, Y=None, abs=None, rel=None,
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**kwargs):
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"""
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Set the error tolerances for the steady-state problem.
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@ -77,11 +79,19 @@ cdef class Domain1D:
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component names as keywords and (rtol, atol) tuples as the values.
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The keyword *default* may be used to specify default bounds for all
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unspecified components. The keyword *Y* can be used to stand for all
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species mass fractions in flow domains.
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species mass fractions in flow domains. Alternatively, the keywords
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*abs* and *rel* can be used to specify arrays for the absolute and
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relative tolerances for each solution component.
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"""
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self.have_user_tolerances = True
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if default is not None:
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self.domain.setSteadyTolerances(default[0], default[1])
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if abs is not None and rel is not None:
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assert len(abs) == len(rel) == self.n_components
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for n,(r,a) in enumerate(zip(rel,abs)):
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self.domain.setSteadyTolerances(r,a,n)
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if Y is not None:
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k0 = self.component_index(self.gas.species_name(0))
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for n in range(k0, k0 + self.gas.n_species):
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@ -90,7 +100,8 @@ cdef class Domain1D:
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for name,(lower,upper) in kwargs.items():
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self.domain.setSteadyTolerances(lower, upper, self.component_index(name))
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def set_transient_tolerances(self, *, default=None, Y=None, **kwargs):
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def set_transient_tolerances(self, *, default=None, Y=None, abs=None,
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rel=None, **kwargs):
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"""
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Set the error tolerances for the steady-state problem.
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@ -98,11 +109,19 @@ cdef class Domain1D:
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component names as keywords and (rtol, atol) tuples as the values.
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The keyword *default* may be used to specify default bounds for all
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unspecified components. The keyword *Y* can be used to stand for all
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species mass fractions in flow domains.
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species mass fractions in flow domains. Alternatively, the keywords
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*abs* and *rel* can be used to specify arrays for the absolute and
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relative tolerances for each solution component.
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"""
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self.have_user_tolerances = True
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if default is not None:
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self.domain.setTransientTolerances(default[0], default[1])
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if abs is not None and rel is not None:
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assert len(abs) == len(rel) == self.n_components
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for n,(r,a) in enumerate(zip(rel,abs)):
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self.domain.setTransientTolerances(r,a,n)
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if Y is not None:
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k0 = self.component_index(self.gas.species_name(0))
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for n in range(k0, k0 + self.gas.n_species):
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@ -719,7 +738,7 @@ cdef class Sim1D:
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"""
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self.sim.getInitialSoln()
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def solve(self, loglevel=1, refine_grid=True):
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def solve(self, loglevel=1, refine_grid=True, auto=False):
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"""
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Solve the problem.
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@ -728,10 +747,84 @@ cdef class Sim1D:
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suppresses all output, and 5 produces very verbose output.
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:param refine_grid:
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if True, enable grid refinement.
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:param auto: if True, sequentially execute the different solution stages
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and attempt to automatically recover from errors. Attempts to first
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solve on the initial grid with energy enabled. If that does not
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succeed, a fixed-temperature solution will be tried followed by
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enabling the energy equation, and then with grid refinement enabled.
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If non-default tolerances have been specified or multicomponent
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transport is enabled, an additional solution using these options
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will be calculated.
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"""
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if not self._initialized:
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self.set_initial_guess()
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self.sim.solve(loglevel, <cbool>refine_grid)
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if not auto:
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self.sim.solve(loglevel, <cbool>refine_grid)
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return
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have_user_tolerances = any(dom.have_user_tolerances for dom in self.domains)
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if have_user_tolerances:
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# Save the user-specified tolerances
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atol_ss_final = [dom.steady_abstol() for dom in self.domains]
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rtol_ss_final = [dom.steady_reltol() for dom in self.domains]
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atol_ts_final = [dom.transient_abstol() for dom in self.domains]
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rtol_ts_final = [dom.transient_reltol() for dom in self.domains]
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for dom in self.domains:
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dom.set_steady_tolerances(default=(1e-4, 1e-9))
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dom.set_transient_tolerances(default=(1e-4, 1e-11))
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# Do initial solution steps without multicomponent transport
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solve_multi = self.gas.transport_model == 'Multi'
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if solve_multi:
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self.gas.transport_model = 'Mix'
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for dom in self.domains:
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if isinstance(dom, _FlowBase):
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dom.set_transport(self.gas)
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def log(msg):
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if loglevel:
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print('\n{:*^78s}'.format(' ' + msg + ' '))
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try:
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# Try solving with energy enabled, which usually works
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log('Solving on initial grid with energy equation enabled')
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self.energy_enabled = True
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self.sim.solve(loglevel, <cbool>False)
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except Exception:
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# If initial solve using energy equation fails, fall back on the
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# traditional fixed temperature solve followed by solving the energy
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# equation
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log('Initial solve failed; Retrying with energy equation disabled')
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self.energy_enabled = False
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self.sim.solve(loglevel, <cbool>False)
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log('Solving on initial grid with energy equation re-enabled')
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self.energy_enabled = True
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self.sim.solve(loglevel, <cbool>False)
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log('Solving with grid refinement enabled')
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self.sim.solve(loglevel, <cbool>True)
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if solve_multi:
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log('Solving with multicomponent transport')
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self.gas.transport_model = 'Multi'
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for dom in self.domains:
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if isinstance(dom, _FlowBase):
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dom.set_transport(self.gas)
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if have_user_tolerances:
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log('Solving with user-specifed tolerances')
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for i in range(len(self.domains)):
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self.domains[i].set_steady_tolerances(abs=atol_ss_final[i],
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rel=rtol_ss_final[i])
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self.domains[i].set_transient_tolerances(abs=atol_ts_final[i],
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rel=rtol_ts_final[i])
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# Final call with expensive options enabled
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if have_user_tolerances or solve_multi:
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self.sim.solve(loglevel, <cbool>True)
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def refine(self, loglevel=1):
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"""
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