Small Changes

Author: Dimitrios Adam

src/common/m_chemistry.fpp

@@ -253,8 +253,7 @@ contains
                         $:GPU_LOOP(parallelism='[seq]')
                         do i = chemxb, chemxe
                             mass_diffusivities_mixavg_Cell(i - chemxb + 1) = &
-                                (mass_diffusivities_mixavg2(i - chemxb + 1) + mass_diffusivities_mixavg1(i - chemxb + 1))/ &
-                                2.0_wp*(1.0_wp - Xs_cell(i - chemxb + 1))/(1.0_wp - Ys_cell(i - chemxb + 1))
+                                (mass_diffusivities_mixavg2(i - chemxb + 1) + mass_diffusivities_mixavg1(i - chemxb + 1))/2.0_wp
                         end do
 
                         lambda_Cell = 0.5_wp*(lambda_R + lambda_L)

src/pre_process/include/1dHardcodedIC.fpp

@@ -1,5 +1,6 @@
 #:def Hardcoded1DVariables()
     ! Place any declaration of intermediate variables here
+    real(wp) :: x_mid_diffu, width_sq, profile_shape, temp, molar_mass_inv, y1, y2, y3, y4
 #:enddef
 
 #:def Hardcoded1D()
@@ -20,6 +21,35 @@
         ! 1D_titarevtorro cases: "patch_icpp(2)%alpha_rho(1)": "1 + 0.1*sin(20*x*pi)"
         q_prim_vf(contxb + 0)%sf(i, 0, 0) = 1 + 0.1*sin(20*x_cc(i)*pi)
 
+    case (182)
+        ! This patch is a hard-coded for test suite optimization (multiple component diffusion)
+        x_mid_diffu = 0.05_wp/2.0_wp
+        width_sq = (2.5_wp*10.0_wp**(-3.0_wp))**2
+        profile_shape = 1.0_wp - 0.5_wp*exp(-(x_cc(i) - x_mid_diffu)**2/width_sq)
+        q_prim_vf(momxb)%sf(i, 0, 0) = 0.0_wp
+        q_prim_vf(E_idx)%sf(i, 0, 0) = 1.01325_wp*(10.0_wp)**5
+        q_prim_vf(advxb)%sf(i, 0, 0) = 1.0_wp
+        q_prim_vf(advxb)%sf(i, 0, 0) = 1.0_wp
+
+        y1 = (0.195_wp - 0.142_wp)*profile_shape + 0.142_wp
+        y2 = (0.0_wp - 0.1_wp)*profile_shape + 0.1_wp
+        y3 = (0.214_wp - 0.0_wp)*profile_shape + 0.0_wp
+        y4 = (0.591_wp - 0.758_wp)*profile_shape + 0.758_wp
+
+        q_prim_vf(chemxb)%sf(i, 0, 0) = y1
+        q_prim_vf(chemxb + 1)%sf(i, 0, 0) = y2
+        q_prim_vf(chemxb + 2)%sf(i, 0, 0) = y3
+        q_prim_vf(chemxb + 3)%sf(i, 0, 0) = y4
+
+        temp = (320.0_wp - 1350.0_wp)*profile_shape + 1350.0_wp
+
+        molar_mass_inv = y1/31.998_wp + &
+                         y2/18.01508_wp + &
+                         y3/16.04256_wp + &
+                         y4/28.0134_wp
+
+        q_prim_vf(contxb)%sf(i, 0, 0) = 1.01325_wp*(10.0_wp)**5/(temp*8.3144626_wp*1000.0_wp*molar_mass_inv)
+
     case default
         call s_int_to_str(patch_id, iStr)
         call s_mpi_abort("Invalid hcid specified for patch "//trim(iStr))

src/simulation/m_global_parameters.fpp

@@ -1312,6 +1312,8 @@ contains
 
         $:GPU_UPDATE(device='[Bx0, powell]')
 
+        $:GPU_UPDATE(device='[chem_params]')
+
         $:GPU_UPDATE(device='[cont_damage,tau_star,cont_damage_s,alpha_bar]')
 
         #:if not MFC_CASE_OPTIMIZATION