Fix analytic Jacobian in ignition_chamulak (#1294)

The conversion back to d/dY form was missing the multiplication by A for the d/dX terms. Also, the J(ash, net_ienuc) term was missing.
AMReX-Astro · Jul 23, 2023 · 7652796 · 7652796
1 parent 9af506c
commit 7652796
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diff --git a/networks/ignition_chamulak/actual_rhs.H b/networks/ignition_chamulak/actual_rhs.H
@@ -184,10 +184,13 @@ void actual_jac (burn_t& state, MatrixType& jac)
                            (dens * rate * xc12tmp * xc12tmp * dsc1212dt +
                             dens * sc1212 * xc12tmp * xc12tmp * dratedt);
 
+    jac(Ash, net_ienuc) = -jac(C12, net_ienuc);
+
     // Convert back to molar form
 
     for (int i = 1; i <= neqs; ++i) {
         for (int j = 1; j <= NumSpec; ++j) {
+            jac(i,j) *= aion[j-1];
             jac(j,i) *= aion_inv[j-1];
         }
     }
@@ -207,6 +210,7 @@ void actual_jac (burn_t& state, MatrixType& jac)
     // Convert to d / de
 
     jac(C12, net_ienuc) = temperature_to_energy_jacobian(state, jac(C12, net_ienuc));
+    jac(Ash, net_ienuc) = temperature_to_energy_jacobian(state, jac(Ash, net_ienuc));
     jac(net_ienuc, net_ienuc) = temperature_to_energy_jacobian(state, jac(net_ienuc, net_ienuc));
 }
 

diff --git a/unit_test/burn_cell/ci-benchmarks/chamulak_VODE_unit_test.out b/unit_test/burn_cell/ci-benchmarks/chamulak_VODE_unit_test.out
@@ -1,4 +1,4 @@
-AMReX (23.07-24-g01b750d909b0) initialized
+AMReX (23.07-7-g88f03408f18a-dirty) initialized
 starting the single zone burn...
 Maximum Time (s): 0.01585
 State Density (g/cm^3): 1000000000
@@ -12,21 +12,21 @@ RHS at t = 0
    ash 0.01230280576
 ------------------------------------
 successful? 1
- - Hnuc = 5.162791463e+17
- - added e = 8.183024469e+15
- - final T = 1424869952
+ - Hnuc = 5.27728638e+17
+ - added e = 8.364498912e+15
+ - final T = 1433703794
 ------------------------------------
 e initial = 1.253426044e+18
-e final =   1.261609069e+18
+e final =   1.261790543e+18
 ------------------------------------
 new mass fractions: 
-C12 0.966535706
-O16 1.000003322e-30
-ash 0.033464294
+C12 0.9657902582
+O16 1e-30
+ash 0.03420974184
 ------------------------------------
 species creation rates: 
-omegadot(C12): -2.111311924
-omegadot(O16): 2.096110914e-34
-omegadot(ash): 2.111311924
-number of steps taken: 384
-AMReX (23.07-24-g01b750d909b0) finalized
+omegadot(C12): -2.158343334
+omegadot(O16): 3.315374916e-44
+omegadot(ash): 2.158343334
+number of steps taken: 381
+AMReX (23.07-7-g88f03408f18a-dirty) finalized
diff --git a/unit_test/test_rhs/ci-benchmarks/chamulak.out b/unit_test/test_rhs/ci-benchmarks/chamulak.out
@@ -10,10 +10,10 @@
  Xold_oxygen-16                           0.05                    0.4
  Xold_ash                                 0.05                    0.4
  Edot                         9.3682885505e-53        6.584051211e+27
- J_carbon-12_carbon-12           -5030352847.9      -3.2218541118e-70
+ J_carbon-12_carbon-12            -60364234175      -3.8662249342e-69
  J_oxygen-16_carbon-12                       0                      0
- J_ash_carbon-12              2.1479027412e-70           3353568565.3
- J_E_carbon-12                9.3682885505e-52       1.4631224913e+28
+ J_ash_carbon-12              2.5774832894e-69            40242822783
+ J_E_carbon-12                1.1241946261e-50       1.7557469896e+29
  J_carbon-12_oxygen-16                       0                      0
  J_oxygen-16_oxygen-16                       0                      0
  J_ash_oxygen-16                             0                      0
@@ -24,6 +24,6 @@
  J_E_ash                                    -0                     -0
  J_carbon-12_E               -4.4154660816e-08      -7.3754668622e-85
  J_oxygen-16_E                               0                      0
- J_ash_E                                     0                      0
+ J_ash_E                      4.9169779082e-85       2.9436440544e-08
  J_E_E                        2.1445881583e-66       1.2842772523e+11