Refactor time integrator 2N and 3Star more similar to OrdinaryDiffEq.…

…jl integrators (#1975) * refactor 2N and 3* * Apply suggestions from code review Co-authored-by: Hendrik Ranocha <ranocha@users.noreply.github.com> * fix the logic of step! * Apply suggestions from code review Co-authored-by: Hendrik Ranocha <ranocha@users.noreply.github.com> * fmt * Revert "fmt" This reverts commit edb92b0. * fmt * add name to AUTHORS.md --------- Co-authored-by: Daniel Doehring <doehringd2@gmail.com> Co-authored-by: Hendrik Ranocha <ranocha@users.noreply.github.com>
trixi-framework · Jun 19, 2024 · 5a642f2 · 5a642f2
1 parent 75d8c67
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diff --git a/AUTHORS.md b/AUTHORS.md
@@ -38,6 +38,7 @@ are listed in alphabetical order:
 * Julia Odenthal
 * Sigrun Ortleb
 * Hendrik Ranocha
+* Warisa Roongaraya
 * Andrés M. Rueda-Ramírez
 * Felipe Santillan
 * Michael Schlottke-Lakemper

diff --git a/src/time_integration/methods_2N.jl b/src/time_integration/methods_2N.jl
@@ -104,9 +104,8 @@ function Base.getproperty(integrator::SimpleIntegrator2N, field::Symbol)
     return getfield(integrator, field)
 end
 
-# Fakes `solve`: https://diffeq.sciml.ai/v6.8/basics/overview/#Solving-the-Problems-1
-function solve(ode::ODEProblem, alg::T;
-               dt, callback = nothing, kwargs...) where {T <: SimpleAlgorithm2N}
+function init(ode::ODEProblem, alg::SimpleAlgorithm2N;
+              dt, callback = nothing, kwargs...)
     u = copy(ode.u0)
     du = similar(u)
     u_tmp = similar(u)
@@ -129,67 +128,84 @@ function solve(ode::ODEProblem, alg::T;
         error("unsupported")
     end
 
+    return integrator
+end
+
+# Fakes `solve`: https://diffeq.sciml.ai/v6.8/basics/overview/#Solving-the-Problems-1
+function solve(ode::ODEProblem, alg::SimpleAlgorithm2N;
+               dt, callback = nothing, kwargs...)
+    integrator = init(ode, alg, dt = dt, callback = callback; kwargs...)
+
+    # Start actual solve
     solve!(integrator)
 end
 
 function solve!(integrator::SimpleIntegrator2N)
     @unpack prob = integrator.sol
+
+    integrator.finalstep = false
+
+    @trixi_timeit timer() "main loop" while !integrator.finalstep
+        step!(integrator)
+    end # "main loop" timer
+
+    return TimeIntegratorSolution((first(prob.tspan), integrator.t),
+                                  (prob.u0, integrator.u),
+                                  integrator.sol.prob)
+end
+
+function step!(integrator::SimpleIntegrator2N)
+    @unpack prob = integrator.sol
     @unpack alg = integrator
     t_end = last(prob.tspan)
     callbacks = integrator.opts.callback
 
-    integrator.finalstep = false
-    @trixi_timeit timer() "main loop" while !integrator.finalstep
-        if isnan(integrator.dt)
-            error("time step size `dt` is NaN")
-        end
+    @assert !integrator.finalstep
+    if isnan(integrator.dt)
+        error("time step size `dt` is NaN")
+    end
 
-        # if the next iteration would push the simulation beyond the end time, set dt accordingly
-        if integrator.t + integrator.dt > t_end ||
-           isapprox(integrator.t + integrator.dt, t_end)
-            integrator.dt = t_end - integrator.t
-            terminate!(integrator)
-        end
+    # if the next iteration would push the simulation beyond the end time, set dt accordingly
+    if integrator.t + integrator.dt > t_end ||
+       isapprox(integrator.t + integrator.dt, t_end)
+        integrator.dt = t_end - integrator.t
+        terminate!(integrator)
+    end
 
-        # one time step
-        integrator.u_tmp .= 0
-        for stage in eachindex(alg.c)
-            t_stage = integrator.t + integrator.dt * alg.c[stage]
-            integrator.f(integrator.du, integrator.u, prob.p, t_stage)
-
-            a_stage = alg.a[stage]
-            b_stage_dt = alg.b[stage] * integrator.dt
-            @trixi_timeit timer() "Runge-Kutta step" begin
-                @threaded for i in eachindex(integrator.u)
-                    integrator.u_tmp[i] = integrator.du[i] -
-                                          integrator.u_tmp[i] * a_stage
-                    integrator.u[i] += integrator.u_tmp[i] * b_stage_dt
-                end
+    # one time step
+    integrator.u_tmp .= 0
+    for stage in eachindex(alg.c)
+        t_stage = integrator.t + integrator.dt * alg.c[stage]
+        integrator.f(integrator.du, integrator.u, prob.p, t_stage)
+
+        a_stage = alg.a[stage]
+        b_stage_dt = alg.b[stage] * integrator.dt
+        @trixi_timeit timer() "Runge-Kutta step" begin
+            @threaded for i in eachindex(integrator.u)
+                integrator.u_tmp[i] = integrator.du[i] -
+                                      integrator.u_tmp[i] * a_stage
+                integrator.u[i] += integrator.u_tmp[i] * b_stage_dt
             end
         end
-        integrator.iter += 1
-        integrator.t += integrator.dt
-
-        # handle callbacks
-        if callbacks isa CallbackSet
-            foreach(callbacks.discrete_callbacks) do cb
-                if cb.condition(integrator.u, integrator.t, integrator)
-                    cb.affect!(integrator)
-                end
-                return nothing
+    end
+    integrator.iter += 1
+    integrator.t += integrator.dt
+
+    # handle callbacks
+    if callbacks isa CallbackSet
+        foreach(callbacks.discrete_callbacks) do cb
+            if cb.condition(integrator.u, integrator.t, integrator)
+                cb.affect!(integrator)
             end
-        end
-
-        # respect maximum number of iterations
-        if integrator.iter >= integrator.opts.maxiters && !integrator.finalstep
-            @warn "Interrupted. Larger maxiters is needed."
-            terminate!(integrator)
+            return nothing
         end
     end
 
-    return TimeIntegratorSolution((first(prob.tspan), integrator.t),
-                                  (prob.u0, integrator.u),
-                                  integrator.sol.prob)
+    # respect maximum number of iterations
+    if integrator.iter >= integrator.opts.maxiters && !integrator.finalstep
+        @warn "Interrupted. Larger maxiters is needed."
+        terminate!(integrator)
+    end
 end
 
 # get a cache where the RHS can be stored

diff --git a/src/time_integration/methods_3Sstar.jl b/src/time_integration/methods_3Sstar.jl
@@ -171,9 +171,8 @@ function Base.getproperty(integrator::SimpleIntegrator3Sstar, field::Symbol)
     return getfield(integrator, field)
 end
 
-# Fakes `solve`: https://diffeq.sciml.ai/v6.8/basics/overview/#Solving-the-Problems-1
-function solve(ode::ODEProblem, alg::T;
-               dt, callback = nothing, kwargs...) where {T <: SimpleAlgorithm3Sstar}
+function init(ode::ODEProblem, alg::SimpleAlgorithm3Sstar;
+              dt, callback = nothing, kwargs...)
     u = copy(ode.u0)
     du = similar(u)
     u_tmp1 = similar(u)
@@ -199,73 +198,90 @@ function solve(ode::ODEProblem, alg::T;
         error("unsupported")
     end
 
+    return integrator
+end
+
+# Fakes `solve`: https://diffeq.sciml.ai/v6.8/basics/overview/#Solving-the-Problems-1
+function solve(ode::ODEProblem, alg::SimpleAlgorithm3Sstar;
+               dt, callback = nothing, kwargs...)
+    integrator = init(ode, alg, dt = dt, callback = callback; kwargs...)
+
+    # Start actual solve
     solve!(integrator)
 end
 
 function solve!(integrator::SimpleIntegrator3Sstar)
     @unpack prob = integrator.sol
+
+    integrator.finalstep = false
+
+    @trixi_timeit timer() "main loop" while !integrator.finalstep
+        step!(integrator)
+    end # "main loop" timer
+
+    return TimeIntegratorSolution((first(prob.tspan), integrator.t),
+                                  (prob.u0, integrator.u),
+                                  integrator.sol.prob)
+end
+
+function step!(integrator::SimpleIntegrator3Sstar)
+    @unpack prob = integrator.sol
     @unpack alg = integrator
     t_end = last(prob.tspan)
     callbacks = integrator.opts.callback
 
-    integrator.finalstep = false
-    @trixi_timeit timer() "main loop" while !integrator.finalstep
-        if isnan(integrator.dt)
-            error("time step size `dt` is NaN")
-        end
+    @assert !integrator.finalstep
+    if isnan(integrator.dt)
+        error("time step size `dt` is NaN")
+    end
 
-        # if the next iteration would push the simulation beyond the end time, set dt accordingly
-        if integrator.t + integrator.dt > t_end ||
-           isapprox(integrator.t + integrator.dt, t_end)
-            integrator.dt = t_end - integrator.t
-            terminate!(integrator)
-        end
+    # if the next iteration would push the simulation beyond the end time, set dt accordingly
+    if integrator.t + integrator.dt > t_end ||
+       isapprox(integrator.t + integrator.dt, t_end)
+        integrator.dt = t_end - integrator.t
+        terminate!(integrator)
+    end
 
-        # one time step
-        integrator.u_tmp1 .= zero(eltype(integrator.u_tmp1))
-        integrator.u_tmp2 .= integrator.u
-        for stage in eachindex(alg.c)
-            t_stage = integrator.t + integrator.dt * alg.c[stage]
-            prob.f(integrator.du, integrator.u, prob.p, t_stage)
-
-            delta_stage = alg.delta[stage]
-            gamma1_stage = alg.gamma1[stage]
-            gamma2_stage = alg.gamma2[stage]
-            gamma3_stage = alg.gamma3[stage]
-            beta_stage_dt = alg.beta[stage] * integrator.dt
-            @trixi_timeit timer() "Runge-Kutta step" begin
-                @threaded for i in eachindex(integrator.u)
-                    integrator.u_tmp1[i] += delta_stage * integrator.u[i]
-                    integrator.u[i] = (gamma1_stage * integrator.u[i] +
-                                       gamma2_stage * integrator.u_tmp1[i] +
-                                       gamma3_stage * integrator.u_tmp2[i] +
-                                       beta_stage_dt * integrator.du[i])
-                end
+    # one time step
+    integrator.u_tmp1 .= zero(eltype(integrator.u_tmp1))
+    integrator.u_tmp2 .= integrator.u
+    for stage in eachindex(alg.c)
+        t_stage = integrator.t + integrator.dt * alg.c[stage]
+        prob.f(integrator.du, integrator.u, prob.p, t_stage)
+
+        delta_stage = alg.delta[stage]
+        gamma1_stage = alg.gamma1[stage]
+        gamma2_stage = alg.gamma2[stage]
+        gamma3_stage = alg.gamma3[stage]
+        beta_stage_dt = alg.beta[stage] * integrator.dt
+        @trixi_timeit timer() "Runge-Kutta step" begin
+            @threaded for i in eachindex(integrator.u)
+                integrator.u_tmp1[i] += delta_stage * integrator.u[i]
+                integrator.u[i] = (gamma1_stage * integrator.u[i] +
+                                   gamma2_stage * integrator.u_tmp1[i] +
+                                   gamma3_stage * integrator.u_tmp2[i] +
+                                   beta_stage_dt * integrator.du[i])
             end
         end
-        integrator.iter += 1
-        integrator.t += integrator.dt
-
-        # handle callbacks
-        if callbacks isa CallbackSet
-            foreach(callbacks.discrete_callbacks) do cb
-                if cb.condition(integrator.u, integrator.t, integrator)
-                    cb.affect!(integrator)
-                end
-                return nothing
+    end
+    integrator.iter += 1
+    integrator.t += integrator.dt
+
+    # handle callbacks
+    if callbacks isa CallbackSet
+        foreach(callbacks.discrete_callbacks) do cb
+            if cb.condition(integrator.u, integrator.t, integrator)
+                cb.affect!(integrator)
             end
-        end
-
-        # respect maximum number of iterations
-        if integrator.iter >= integrator.opts.maxiters && !integrator.finalstep
-            @warn "Interrupted. Larger maxiters is needed."
-            terminate!(integrator)
+            return nothing
         end
     end
 
-    return TimeIntegratorSolution((first(prob.tspan), integrator.t),
-                                  (prob.u0, integrator.u),
-                                  integrator.sol.prob)
+    # respect maximum number of iterations
+    if integrator.iter >= integrator.opts.maxiters && !integrator.finalstep
+        @warn "Interrupted. Larger maxiters is needed."
+        terminate!(integrator)
+    end
 end
 
 # get a cache where the RHS can be stored