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Adjoint Sensitivity Example for Chemical Kinetics
-------------------------------------------------
ODE: dy1/dt = -p1*y1 + p2*y2*y3
dy2/dt = p1*y1 - p2*y2*y3 - p3*(y2)^2
dy3/dt = p3*(y2)^2
Find dG/dp for
G = int_t0^tB0 g(t,p,y) dt
g(t,p,y) = y3
Create and allocate CVODES memory for forward runs
Forward integration ... done (ncheck = 5)
--------------------------------------------------------
G: 3.9983e+07
--------------------------------------------------------
Final Statistics:
Current time = 40090396.38262068
Steps = 766
Error test fails = 37
NLS step fails = 0
Initial step size = 4.712160915387242e-10
Last step size = 2056516.139492778
Current step size = 2056516.139492778
Last method order = 5
Current method order = 5
Stab. lim. order reductions = 0
RHS fn evals = 1057
NLS iters = 1056
NLS fails = 0
NLS iters per step = 1.378590078328982
LS setups = 125
Jac fn evals = 16
LS RHS fn evals = 0
Prec setup evals = 0
Prec solves = 0
LS iters = 0
LS fails = 0
Jac-times setups = 0
Jac-times evals = 0
LS iters per NLS iter = 0
Jac evals per NLS iter = 0.01515151515151515
Prec evals per NLS iter = 0
Root fn evals = 0
Quad fn evals = 767
Quad error test fails = 0
Create and allocate CVODES memory for backward run
Backward integration from tB0 = 4.0000e+07
--------------------------------------------------------
returned t: 4.0000e+01
tout: 4.0000e+01
lambda(t): 3.9967e+07 3.9967e+07 3.9967e+07
y(t): 7.1583e-01 9.1855e-06 2.8416e-01
--------------------------------------------------------
--------------------------------------------------------
returned t: 0.0000e+00
lambda(t0): 3.9967e+07 3.9967e+07 3.9967e+07
y(t0): 1.0000e+00 0.0000e+00 0.0000e+00
dG/dp: 7.6842e+05 -3.0691e+00 5.1144e-04
--------------------------------------------------------
Final Statistics:
Current time = 0
Steps = 212
Error test fails = 1
NLS step fails = 0
Initial step size = -9.424321830774485e-08
Last step size = -3.814693791377326
Current step size = -3.814693791377326
Last method order = 4
Current method order = 4
Stab. lim. order reductions = 0
RHS fn evals = 252
NLS iters = 251
NLS fails = 0
NLS iters per step = 1.183962264150943
LS setups = 76
Jac fn evals = 4
LS RHS fn evals = 0
Prec setup evals = 0
Prec solves = 0
LS iters = 0
LS fails = 0
Jac-times setups = 0
Jac-times evals = 0
LS iters per NLS iter = 0
Jac evals per NLS iter = 0.01593625498007968
Prec evals per NLS iter = 0
Root fn evals = 0
Quad fn evals = 245
Quad error test fails = 32
Re-initialize CVODES memory for backward run
Backward integration from tB0 = 5.0000e+01
--------------------------------------------------------
returned t: 4.0000e+01
tout: 4.0000e+01
lambda(t): 2.8959e-01 1.7624e+00 9.3567e+00
y(t): 7.1583e-01 9.1855e-06 2.8416e-01
--------------------------------------------------------
--------------------------------------------------------
returned t: 0.0000e+00
lambda(t0): 8.4190e+00 1.6097e+01 1.6097e+01
y(t0): 1.0000e+00 0.0000e+00 0.0000e+00
dG/dp: 1.7341e+02 -5.0590e-04 8.4321e-08
--------------------------------------------------------
Final Statistics:
Current time = 0
Steps = 186
Error test fails = 13
NLS step fails = 0
Initial step size = -5.132424409507535e-10
Last step size = -0.0002691205025119647
Current step size = -0.0002691205025119647
Last method order = 4
Current method order = 4
Stab. lim. order reductions = 0
RHS fn evals = 261
NLS iters = 258
NLS fails = 4
NLS iters per step = 1.387096774193548
LS setups = 44
Jac fn evals = 8
LS RHS fn evals = 0
Prec setup evals = 0
Prec solves = 0
LS iters = 0
LS fails = 0
Jac-times setups = 0
Jac-times evals = 0
LS iters per NLS iter = 0
Jac evals per NLS iter = 0.0310077519379845
Prec evals per NLS iter = 0
Root fn evals = 0
Quad fn evals = 189
Quad error test fails = 0
|
