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Restructure source residual computation to fix axisymmetric chemsitry/vib source computation #1170

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Merged
pcarruscag merged 3 commits into from
Jan 20, 2021
Merged

Restructure source residual computation to fix axisymmetric chemsitry/vib source computation #1170

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ccd2c10
fixed chem and vib source residual computations with axisymmetric
jtneedels Jan 18, 2021
5a45e37
restructured code in loops for efficiency, and added comments
jtneedels Jan 18, 2021
f64cc52
changed sign of species diffusion in viscous residual
jtneedels Jan 19, 2021
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4 changes: 2 additions & 2 deletions SU2_CFD/src/numerics/NEMO/NEMO_sources.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -372,12 +372,12 @@ CNumerics::ResidualType<> CSource_NEMO::ComputeAxisymmetric(const CConfig *confi
-TWO3*AuxVar_Grad_i[0][0]);
residual[nSpecies+1] -= Volume*(yinv*total_viscosity_i*2*(PrimVar_Grad_i[nSpecies+3][1]-v*yinv)
-TWO3*AuxVar_Grad_i[0][1]);
residual[nSpecies+2] -= Volume*(yinv*(- sumJhs_y + total_viscosity_i*(u*(PrimVar_Grad_i[nSpecies+3][0]+PrimVar_Grad_i[nSpecies+2][1])
residual[nSpecies+2] -= Volume*(yinv*(sumJhs_y + total_viscosity_i*(u*(PrimVar_Grad_i[nSpecies+3][0]+PrimVar_Grad_i[nSpecies+2][1])
+v*TWO3*(2*PrimVar_Grad_i[nSpecies+2][1]-PrimVar_Grad_i[nSpecies+2][0]
-v*yinv+rho*turb_ke_i))
-total_conductivity_i*PrimVar_Grad_i[nSpecies][1])
-TWO3*(AuxVar_Grad_i[1][1]+AuxVar_Grad_i[2][1]));
residual[nSpecies+3] -= Volume*(yinv*(-sumJeve_y -qy_ve));
residual[nSpecies+3] -= Volume*(yinv*(sumJeve_y -qy_ve));
}

// if (implicit) {
Expand Down
115 changes: 51 additions & 64 deletions SU2_CFD/src/solvers/CNEMOEulerSolver.cpp
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Original file line number Diff line number Diff line change
Expand Up @@ -1147,6 +1147,57 @@ void CNEMOEulerSolver::Source_Residual(CGeometry *geometry, CSolver **solver_con
numerics->SetCoord(geometry->nodes->GetCoord(iPoint),
geometry->nodes->GetCoord(iPoint) );

/*--- Compute finite rate chemistry ---*/

if(!monoatomic){
if(!frozen){
/*--- Compute the non-equilibrium chemistry ---*/
auto residual = numerics->ComputeChemistry(config);

/*--- Check for errors before applying source to the linear system ---*/
err = false;
for (iVar = 0; iVar < nVar; iVar++)
if (residual[iVar] != residual[iVar]) err = true;
//if (implicit)
// for (iVar = 0; iVar < nVar; iVar++)
// for (jVar = 0; jVar < nVar; jVar++)
// if (Jacobian_i[iVar][jVar] != Jacobian_i[iVar][jVar]) err = true;

/*--- Apply the chemical sources to the linear system ---*/
if (!err) {
LinSysRes.SubtractBlock(iPoint, residual);
//if (implicit)
// Jacobian.SubtractBlock(iPoint, iPoint, Jacobian_i);
} else
eChm_local++;
}
}

/*--- Compute vibrational energy relaxation ---*/
/// NOTE: Jacobians don't account for relaxation time derivatives

if (!monoatomic){
auto residual = numerics->ComputeVibRelaxation(config);

/*--- Check for errors before applying source to the linear system ---*/
err = false;
for (iVar = 0; iVar < nVar; iVar++)
if (residual[iVar] != residual[iVar]) err = true;
//if (implicit)
// for (iVar = 0; iVar < nVar; iVar++)
// for (jVar = 0; jVar < nVar; jVar++)
// if (Jacobian_i[iVar][jVar] != Jacobian_i[iVar][jVar]) err = true;

/*--- Apply the vibrational relaxation terms to the linear system ---*/
if (!err) {
LinSysRes.SubtractBlock(iPoint, residual);
//if (implicit)
// Jacobian.SubtractBlock(iPoint, iPoint, Jacobian_i);
} else
eVib_local++;
}

}
/*--- Compute axisymmetric source terms (if needed) ---*/
if (config->GetAxisymmetric()) {

Expand Down Expand Up @@ -1180,18 +1231,6 @@ void CNEMOEulerSolver::Source_Residual(CGeometry *geometry, CSolver **solver_con
SU2_OMP_FOR_DYN(omp_chunk_size)
for (iPoint = 0; iPoint < nPointDomain; iPoint++) {

/*--- Set solution ---*/
numerics->SetConservative(nodes->GetSolution(iPoint), nodes->GetSolution(iPoint));

/*--- Set control volume ---*/
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@WallyMaier WallyMaier Jan 19, 2021

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Nice not having to recompute these.

numerics->SetVolume(geometry->nodes->GetVolume(iPoint));

/*--- Set y coordinate ---*/
numerics->SetCoord(geometry->nodes->GetCoord(iPoint), geometry->nodes->GetCoord(iPoint));

/*--- Set primitive variables for viscous terms and/or generalised source ---*/
numerics->SetPrimitive(nodes->GetPrimitive(iPoint), nodes->GetPrimitive(iPoint));

/*--- If necessary, set variables needed for viscous computation ---*/
if (viscous) {

Expand All @@ -1216,9 +1255,6 @@ void CNEMOEulerSolver::Source_Residual(CGeometry *geometry, CSolver **solver_con
/*--- Vib-el. thermal conductivity ---*/
numerics->SetThermalConductivity_ve(nodes->GetThermalConductivity_ve(iPoint), nodes->GetThermalConductivity_ve(iPoint));

/*--- Vib-el energy ---*/
numerics->SetEve(nodes->GetEve(iPoint), nodes->GetEve(iPoint));

/*--- Set turbulence kinetic energy ---*/
if (rans){
CVariable* turbNodes = solver_container[TURB_SOL]->GetNodes();
Expand Down Expand Up @@ -1247,55 +1283,6 @@ void CNEMOEulerSolver::Source_Residual(CGeometry *geometry, CSolver **solver_con
}
}

if(!monoatomic){
if(!frozen){
/*--- Compute the non-equilibrium chemistry ---*/
auto residual = numerics->ComputeChemistry(config);

/*--- Check for errors before applying source to the linear system ---*/
err = false;
for (iVar = 0; iVar < nVar; iVar++)
if (residual[iVar] != residual[iVar]) err = true;
//if (implicit)
// for (iVar = 0; iVar < nVar; iVar++)
// for (jVar = 0; jVar < nVar; jVar++)
// if (Jacobian_i[iVar][jVar] != Jacobian_i[iVar][jVar]) err = true;

/*--- Apply the chemical sources to the linear system ---*/
if (!err) {
LinSysRes.SubtractBlock(iPoint, residual);
//if (implicit)
// Jacobian.SubtractBlock(iPoint, iPoint, Jacobian_i);
} else
eChm_local++;
}
}

/*--- Compute vibrational energy relaxation ---*/
/// NOTE: Jacobians don't account for relaxation time derivatives

if (!monoatomic){
auto residual = numerics->ComputeVibRelaxation(config);

/*--- Check for errors before applying source to the linear system ---*/
err = false;
for (iVar = 0; iVar < nVar; iVar++)
if (residual[iVar] != residual[iVar]) err = true;
//if (implicit)
// for (iVar = 0; iVar < nVar; iVar++)
// for (jVar = 0; jVar < nVar; jVar++)
// if (Jacobian_i[iVar][jVar] != Jacobian_i[iVar][jVar]) err = true;

/*--- Apply the vibrational relaxation terms to the linear system ---*/
if (!err) {
LinSysRes.SubtractBlock(iPoint, residual);
//if (implicit)
// Jacobian.SubtractBlock(iPoint, iPoint, Jacobian_i);
} else
eVib_local++;
}
}

/*--- Checking for NaN ---*/
eAxi_global = eAxi_local;
eChm_global = eChm_local;
Expand Down