Merge pull request #13 from QuEraComputing/dp8-impl

Implementation of DP8.

.gitignore

@@ -1,7 +1,7 @@
 /.vscode
 **/**/**.cov
 
-/Manifest.toml
+Manifest.toml
 /docs/build/
 /docs/Manifest.toml
 /docs/src/assets/main.css

Project.toml

@@ -1,7 +1,7 @@
 name = "DormandPrince"
 uuid = "5e45e72d-22b8-4dd0-9c8b-f96714864bcd"
 authors = ["John Long<jlong@quera.com>", "Phillip Weinberg<pweinberg@quera.com>"]
-version = "0.1.0"
+version = "0.2.0"
 
 [deps]
 

benchmarks/Project.toml

@@ -1,3 +1,5 @@
 [deps]
 BenchmarkTools = "6e4b80f9-dd63-53aa-95a3-0cdb28fa8baf"
 DifferentialEquations = "0c46a032-eb83-5123-abaf-570d42b7fbaa"
+DormandPrince = "5e45e72d-22b8-4dd0-9c8b-f96714864bcd"
+JET = "c3a54625-cd67-489e-a8e7-0a5a0ff4e31b"

benchmarks/rabi-diffeq.jl

@@ -13,7 +13,7 @@ u0 = ComplexF64[1.0, 0.0]
 tspan = (0.0, 2π)
 prob = ODEProblem(f, u0, tspan)
 # get precompilation out of the way
-sol = solve(prob, DP5(), reltol=1e-10, abstol=1e-10)
+sol = solve(prob, DP8(), reltol=1e-10, abstol=1e-10)
 
 # terminate benchmark after maximum of 5 minutes
-@benchmark solve(prob, DP5(), reltol=1e-10, abstol=1e-10) samples=10000 evals=5 seconds=300
+@benchmark solve(prob, DP8(), reltol=1e-10, abstol=1e-10) samples=10000 evals=5 seconds=300

benchmarks/rabi-dormand-prince.jl

@@ -1,5 +1,5 @@
 using BenchmarkTools
-using DormandPrince:DP5Solver,  core_integrator
+using DormandPrince:DP5Solver, DP8Solver,  integrate
 
 function fcn(x, y, f)
     g(x) = 2.2*2π*sin(2π*x)
@@ -8,12 +8,12 @@ function fcn(x, y, f)
     f[2] = -1im * g(x)/2 * y[1]
 end
 
-solver = DP5Solver(
+solver = DP8Solver(
     fcn,
     0.0,
     ComplexF64[1.0, 0.0]
 )
 
- core_integrator(solver, 2π)
+integrate(solver, 2π)
 
-@benchmark  core_integrator(clean_solver, 2π) setup=(clean_solver = DP5Solver(fcn, 0.0, ComplexF64[1.0, 0.0])) samples=10000 evals=5 seconds=500
+@benchmark  integrate(clean_solver, 2π) setup=(clean_solver = DP8Solver(fcn, 0.0, ComplexF64[1.0, 0.0])) samples=10000 evals=5 seconds=500

benchmarks/type_stab.jl

@@ -1,4 +1,5 @@
-using DormandPrince: DP5Solver, integrate
+using DormandPrince: DP5Solver, DP8Solver, integrate
+using DormandPrince.DP8: dop853, error_estimation
 using JET: @report_opt
 
 
@@ -9,12 +10,18 @@ function fcn(x, y, f)
     f[2] = -1im * g(x)/2 * y[1]
 end
 
-solver = DP5Solver(
+solver = DP8Solver(
     fcn,
     0.0,
     ComplexF64[1.0, 0.0]
 )
 
+h = 1e-6
+# @report_opt dop853(solver, 1.0, 1.0, h)
+# @code_warntype error_estimation(solver, 1e-6)
+# @report_opt error_estimation(solver, 1e-6)
+
+@code_warntype integrate(solver, 2π)
 @report_opt integrate(solver, 2π)
 
 

src/DormandPrince.jl

@@ -4,14 +4,14 @@ using Base.Iterators:repeated, Repeated
 
 # internal imports
 include("types.jl")
+include("hinit.jl")
+include("checks.jl")
 include("interface.jl")
 include("dp5/mod.jl")
-
-
-using DormandPrince. DP5: core_integrator
+include("dp8/mod.jl")
 
 # export Interface
-export DP5Solver, integrate
+export DP5Solver, DP8Solver, integrate
 
 
 end # DormandPrince

src/dp5/checks.jl → src/checks.jl

@@ -1,31 +1,31 @@
 # include("types.jl")
 
 # make enums for every error type and return that instead of printing errors
-function check_max_allowed_steps(options::Options{T}) where T
+function check_max_allowed_steps(options::Options)
     if options.maximum_allowed_steps < 0
         return false
     else
         return true
     end
 end
 
-function check_uround(options::Options{T}) where T
+function check_uround(options::Options)
     if (options.uround <= 1e-35) || (options.uround >= 1.0) 
         return false
     else
         return true
     end
 end
 
-function check_beta(options::Options{T}) where T
+function check_beta(options::Options)
     if options.beta > 0.2
         return false
     else
         return true
     end
 end
 
-function check_safety_factor(options::Options{T}) where T
+function check_safety_factor(options::Options)
     if (options.safety_factor >= 1.0) || (options.safety_factor <= 1e-4)
         return false
     else

src/dp5/helpers.jl

@@ -1,36 +1,4 @@
-function do_step!(solver, h)
-
-    # define constants
-    c2=0.2
-    c3=0.3
-    c4=0.8
-    c5=8.0/9.0
-    a21=0.2
-    a31=3.0/40.0
-    a32=9.0/40.0
-    a41=44.0/45.0
-    a42=-56.0/15.0
-    a43=32.0/9.0
-    a51=19372.0/6561.0
-    a52=-25360.0/2187.0
-    a53=64448.0/6561.0
-    a54=-212.0/729.0
-    a61=9017.0/3168.0
-    a62=-355.0/33.0
-    a63=46732.0/5247.0
-    a64=49.0/176.0
-    a65=-5103.0/18656.0
-    a71=35.0/384.0
-    a73=500.0/1113.0
-    a74=125.0/192.0
-    a75=-2187.0/6784.0
-    a76=11.0/84.0
-    e1=71.0/57600.0
-    e3=-71.0/16695.0
-    e4=71.0/1920.0
-    e5=-17253.0/339200.0
-    e6=22.0/525.0
-    e7=-1.0/40.0
+function do_step!(solver::DP5Solver{T}, h::T) where T
 
     ####### First 6 stages
 
@@ -61,28 +29,15 @@ function error_estimation(solver)
 
     err = mapreduce(+, solver.consts.atol_iter, solver.consts.rtol_iter, solver.k4, solver.y, solver.ysti) do atoli, rtoli, k4i, yi, ystii
         sk = atoli + rtoli*max(abs(yi), abs(ystii))
-        abs(k4i/sk)^2
+        (abs(k4i)/sk)^2
     end
 
     err = sqrt(err/length(solver.y))
 
     return err 
 end
 
-function estimate_second_derivative(solver, h)
-
-    der2 = mapreduce(+, solver.consts.atol_iter, solver.consts.rtol_iter, solver.k2, solver.k1, solver.y) do atoli, rtoli, f1i, f0i, yi
-        sk = atoli + rtoli*abs(yi)
-        ((f1i-f0i)/sk)^2
-    end
-
-    der2 = sqrt(der2)/h
-
-    return der2
-
-end
-
-function stiffness_detection!(solver, naccpt, h)
+function stiffness_detection!(solver::DP5Solver{T}, naccpt::Int, h::T) where T
     if (mod(naccpt, solver.options.stiffness_test_activation_step) == 0) || (solver.vars.iasti > 0)
         #stnum = 0.0
         #stden = 0.0
@@ -95,7 +50,7 @@ function stiffness_detection!(solver, naccpt, h)
         end
 
         if stden > 0.0
-            solver.vars.hlamb = h*sqrt(stnum/stden)
+            solver.vars.hlamb = abs(h)*sqrt(stnum/stden)
         else
             solver.vars.hlamb = Inf
         end
@@ -114,22 +69,3 @@ function stiffness_detection!(solver, naccpt, h)
         end
     end
 end
-
-function euler_first_guess(solver, hmax, posneg)
-
-    dnf, dny = mapreduce(.+, solver.consts.atol_iter, solver.consts.rtol_iter, solver.k1, solver.y) do atoli, rtoli, f0i, yi
-        sk = atoli + rtoli*abs(yi)
-        abs(f0i/sk)^2, abs(yi/sk)^2 # dnf, dny
-    end
-
-
-    if (dnf <= 1.0e-10) || (dny <= 1.0e-10)
-        h = 1.0e-6
-    else
-        h = 0.01*sqrt(dny/dnf)
-    end
-    h = min(h, hmax)
-    h = h * Base.sign(posneg)
-
-    return h, dnf
-end

src/dp5/mod.jl

@@ -1,9 +1,19 @@
 module  DP5
 
-using ..DormandPrince: DormandPrince, DP5Solver, Vars, Consts, Options, Report
+using ..DormandPrince: DormandPrince, 
+    DP5Solver, 
+    Vars, 
+    Consts, 
+    Options, 
+    Report, 
+    hinit,
+    check_beta,
+    check_max_allowed_steps,
+    check_safety_factor,
+    check_uround
 
+include("params.jl")
 include("helpers.jl")
-include("checks.jl")
 include("solver.jl")
 
 end

src/dp5/params.jl

@@ -0,0 +1,31 @@
+# define constants
+const c2=0.2
+const c3=0.3
+const c4=0.8
+const c5=8.0/9.0
+const a21=0.2
+const a31=3.0/40.0
+const a32=9.0/40.0
+const a41=44.0/45.0
+const a42=-56.0/15.0
+const a43=32.0/9.0
+const a51=19372.0/6561.0
+const a52=-25360.0/2187.0
+const a53=64448.0/6561.0
+const a54=-212.0/729.0
+const a61=9017.0/3168.0
+const a62=-355.0/33.0
+const a63=46732.0/5247.0
+const a64=49.0/176.0
+const a65=-5103.0/18656.0
+const a71=35.0/384.0
+const a73=500.0/1113.0
+const a74=125.0/192.0
+const a75=-2187.0/6784.0
+const a76=11.0/84.0
+const e1=71.0/57600.0
+const e3=-71.0/16695.0
+const e4=71.0/1920.0
+const e5=-17253.0/339200.0
+const e6=22.0/525.0
+const e7=-1.0/40.0