fix: Compositional flow kernels - split into separate files, bugfix f…

…or gravity treatment in flux for thermal (#3374)
GEOS-DEV · Nov 11, 2024 · 3b0d907 · 3b0d907
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diff --git a/.integrated_tests.yaml b/.integrated_tests.yaml
@@ -1,6 +1,6 @@
 baselines:
   bucket: geosx
-  baseline: integratedTests/baseline_integratedTests-pr3372-8610-4b9a7b3
+  baseline: integratedTests/baseline_integratedTests-pr3374-8621-bbb3cb2
 
 allow_fail:
   all: ''

diff --git a/BASELINE_NOTES.md b/BASELINE_NOTES.md
@@ -6,6 +6,10 @@ This file is designed to track changes to the integrated test baselines.
 Any developer who updates the baseline ID in the .integrated_tests.yaml file is expected to create an entry in this file with the pull request number, date, and their justification for rebaselining.
 These notes should be in reverse-chronological order, and use the following time format: (YYYY-MM-DD).
 
+PR #3374 (2024-11-09)
+====================
+Bugfix for gravity treatment in flux for thermal.
+
 PR #3372 (2024-11-09)
 ====================
 Fix a bug related to mass and energy updates for poromechanics.

diff --git a/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp b/src/coreComponents/constitutive/fluid/multifluid/MultiFluidSelector.hpp
@@ -14,7 +14,7 @@
  */
 
 /**
- * @file multiFluidSelector.hpp
+ * @file MultiFluidSelector.hpp
  */
 #ifndef GEOS_CONSTITUTIVE_FLUID_MULTIFLUIDSELECTOR_HPP_
 #define GEOS_CONSTITUTIVE_FLUID_MULTIFLUIDSELECTOR_HPP_

diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CMakeLists.txt b/src/coreComponents/physicsSolvers/fluidFlow/CMakeLists.txt
@@ -45,14 +45,48 @@ set( physicsSolvers_headers
      fluidFlow/kernels/singlePhase/ThermalFluxComputeKernel.hpp
      fluidFlow/kernels/singlePhase/proppant/ProppantBaseKernels.hpp
      fluidFlow/kernels/singlePhase/proppant/ProppantFluxKernels.hpp
-     fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseBaseKernels.hpp
-     fluidFlow/kernels/compositional/ThermalCompositionalMultiphaseBaseKernels.hpp
-     fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseFVMKernels.hpp
-     fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseFVMKernelUtilities.hpp
-     fluidFlow/kernels/compositional/ThermalCompositionalMultiphaseFVMKernels.hpp
+     fluidFlow/kernels/compositional/AccumulationKernel.hpp
+     fluidFlow/kernels/compositional/AquiferBCKernel.hpp
+     fluidFlow/kernels/compositional/PPUPhaseFlux.hpp
+     fluidFlow/kernels/compositional/C1PPUPhaseFlux.hpp
+     fluidFlow/kernels/compositional/CapillaryPressureUpdateKernel.hpp
+     fluidFlow/kernels/compositional/CFLKernel.hpp
      fluidFlow/kernels/compositional/CompositionalMultiphaseHybridFVMKernels.hpp
+     fluidFlow/kernels/compositional/DiffusionDispersionFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/DirichletFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/DissipationFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/FluidUpdateKernel.hpp
+     fluidFlow/kernels/compositional/FluidUpdateKernel.hpp
+     fluidFlow/kernels/compositional/FluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/FluxComputeKernelBase.hpp
+     fluidFlow/kernels/compositional/GlobalComponentFractionKernel.hpp
+     fluidFlow/kernels/compositional/HydrostaticPressureKernel.hpp
+     fluidFlow/kernels/compositional/IHUPhaseFlux.hpp
+     fluidFlow/kernels/compositional/KernelLaunchSelectors.hpp
+     fluidFlow/kernels/compositional/PhaseComponentFlux.hpp
+     fluidFlow/kernels/compositional/PhaseMobilityKernel.hpp
+     fluidFlow/kernels/compositional/PhaseVolumeFractionKernel.hpp
+     fluidFlow/kernels/compositional/PotGrad.hpp
+     fluidFlow/kernels/compositional/PPUPhaseFlux.hpp
+     fluidFlow/kernels/compositional/PropertyKernelBase.hpp
      fluidFlow/kernels/compositional/ReactiveCompositionalMultiphaseOBLKernels.hpp
-     fluidFlow/kernels/compositional/StabilizedCompositionalMultiphaseFVMKernels.hpp
+     fluidFlow/kernels/compositional/RelativePermeabilityUpdateKernel.hpp
+     fluidFlow/kernels/compositional/ResidualNormKernel.hpp
+     fluidFlow/kernels/compositional/SolidInternalEnergyUpdateKernel.hpp
+     fluidFlow/kernels/compositional/SolutionScalingAndCheckingKernelBase.hpp
+     fluidFlow/kernels/compositional/SolutionCheckKernel.hpp
+     fluidFlow/kernels/compositional/SolutionScalingKernel.hpp
+     fluidFlow/kernels/compositional/StabilizedFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/StatisticsKernel.hpp
+     fluidFlow/kernels/compositional/ThermalAccumulationKernel.hpp
+     fluidFlow/kernels/compositional/ThermalDiffusionDispersionFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/ThermalDirichletFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/ThermalFluxComputeKernel.hpp
+     fluidFlow/kernels/compositional/ThermalPhaseMobilityKernel.hpp
+     fluidFlow/kernels/compositional/ThermalPhaseVolumeFractionKernel.hpp
+     fluidFlow/kernels/compositional/ThermalResidualNormKernel.hpp
+     fluidFlow/kernels/compositional/ThermalSolutionCheckKernel.hpp
+     fluidFlow/kernels/compositional/ThermalSolutionScalingKernel.hpp
      fluidFlow/wells/CompositionalMultiphaseWell.hpp
      fluidFlow/wells/CompositionalMultiphaseWellFields.hpp
      fluidFlow/wells/SinglePhaseWell.hpp
@@ -86,7 +120,9 @@ set( physicsSolvers_sources
      fluidFlow/SourceFluxStatistics.cpp
      fluidFlow/StencilDataCollection.cpp
      fluidFlow/kernels/singlePhase/proppant/ProppantFluxKernels.cpp
-     fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseFVMKernels.cpp
+     fluidFlow/kernels/compositional/AquiferBCKernel.cpp
+     fluidFlow/kernels/compositional/CFLKernel.cpp
+     fluidFlow/kernels/compositional/FluxComputeKernelBase.cpp
      fluidFlow/kernels/compositional/CompositionalMultiphaseHybridFVMKernels.cpp
      fluidFlow/wells/CompositionalMultiphaseWell.cpp
      fluidFlow/wells/kernels/CompositionalMultiphaseWellKernels.cpp

diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp
@@ -36,14 +36,24 @@
 #include "fieldSpecification/AquiferBoundaryCondition.hpp"
 #include "fieldSpecification/EquilibriumInitialCondition.hpp"
 #include "fieldSpecification/SourceFluxBoundaryCondition.hpp"
-#include "physicsSolvers/fluidFlow/SourceFluxStatistics.hpp"
+#include "finiteVolume/FluxApproximationBase.hpp"
 #include "mesh/DomainPartition.hpp"
 #include "mesh/mpiCommunications/CommunicationTools.hpp"
 #include "physicsSolvers/fluidFlow/CompositionalMultiphaseBaseFields.hpp"
 #include "physicsSolvers/fluidFlow/FlowSolverBaseFields.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseBaseKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseFVMKernels.hpp" // TODO this should not be here
-#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalCompositionalMultiphaseBaseKernels.hpp"
+#include "physicsSolvers/fluidFlow/SourceFluxStatistics.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/AccumulationKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalAccumulationKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/GlobalComponentFractionKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/PhaseVolumeFractionKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalPhaseVolumeFractionKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/FluidUpdateKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/RelativePermeabilityUpdateKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/CapillaryPressureUpdateKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/SolidInternalEnergyUpdateKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/HydrostaticPressureKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/StatisticsKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/CFLKernel.hpp"
 
 #if defined( __INTEL_COMPILER )
 #pragma GCC optimize "O0"
@@ -1410,7 +1420,7 @@ void CompositionalMultiphaseBase::assembleAccumulationAndVolumeBalanceTerms( Dom
       if( m_isThermal )
       {
         thermalCompositionalMultiphaseBaseKernels::
-          ElementBasedAssemblyKernelFactory::
+          AccumulationKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                      m_numPhases,
                                                      dofManager.rankOffset(),
@@ -1425,7 +1435,7 @@ void CompositionalMultiphaseBase::assembleAccumulationAndVolumeBalanceTerms( Dom
       else
       {
         isothermalCompositionalMultiphaseBaseKernels::
-          ElementBasedAssemblyKernelFactory::
+          AccumulationKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                      m_numPhases,
                                                      dofManager.rankOffset(),

diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp
@@ -36,12 +36,25 @@
 #include "mesh/mpiCommunications/CommunicationTools.hpp"
 #include "physicsSolvers/fluidFlow/FlowSolverBaseFields.hpp"
 #include "physicsSolvers/fluidFlow/CompositionalMultiphaseBaseFields.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseBaseKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalCompositionalMultiphaseBaseKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseFVMKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalCompositionalMultiphaseFVMKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/StabilizedCompositionalMultiphaseFVMKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/DissipationCompositionalMultiphaseFVMKernels.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/AccumulationKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalAccumulationKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ResidualNormKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalResidualNormKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/SolutionScalingKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalSolutionScalingKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/SolutionCheckKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalSolutionCheckKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/FluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/DiffusionDispersionFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalDiffusionDispersionFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/StabilizedFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/DissipationFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/PhaseMobilityKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalPhaseMobilityKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/DirichletFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ThermalDirichletFluxComputeKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/AquiferBCKernel.hpp"
 
 namespace geos
 {
@@ -171,7 +184,7 @@ void CompositionalMultiphaseFVM::assembleFluxTerms( real64 const dt,
       if( m_isThermal )
       {
         thermalCompositionalMultiphaseFVMKernels::
-          FaceBasedAssemblyKernelFactory::
+          FluxComputeKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                      m_numPhases,
                                                      dofManager.rankOffset(),
@@ -190,7 +203,7 @@ void CompositionalMultiphaseFVM::assembleFluxTerms( real64 const dt,
         if( m_dbcParams.useDBC )
         {
           dissipationCompositionalMultiphaseFVMKernels::
-            FaceBasedAssemblyKernelFactory::
+            FluxComputeKernelFactory::
             createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                        m_numPhases,
                                                        dofManager.rankOffset(),
@@ -213,7 +226,7 @@ void CompositionalMultiphaseFVM::assembleFluxTerms( real64 const dt,
         else
         {
           isothermalCompositionalMultiphaseFVMKernels::
-            FaceBasedAssemblyKernelFactory::
+            FluxComputeKernelFactory::
             createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                        m_numPhases,
                                                        dofManager.rankOffset(),
@@ -237,7 +250,7 @@ void CompositionalMultiphaseFVM::assembleFluxTerms( real64 const dt,
         if( m_isThermal )
         {
           thermalCompositionalMultiphaseFVMKernels::
-            DiffusionDispersionFaceBasedAssemblyKernelFactory::
+            DiffusionDispersionFluxComputeKernelFactory::
             createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                        m_numPhases,
                                                        dofManager.rankOffset(),
@@ -255,7 +268,7 @@ void CompositionalMultiphaseFVM::assembleFluxTerms( real64 const dt,
         else
         {
           isothermalCompositionalMultiphaseFVMKernels::
-            DiffusionDispersionFaceBasedAssemblyKernelFactory::
+            DiffusionDispersionFluxComputeKernelFactory::
             createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                        m_numPhases,
                                                        dofManager.rankOffset(),
@@ -304,7 +317,7 @@ void CompositionalMultiphaseFVM::assembleStabilizedFluxTerms( real64 const dt,
       // Thermal implementation not supported yet
 
       stabilizedCompositionalMultiphaseFVMKernels::
-        FaceBasedAssemblyKernelFactory::
+        FluxComputeKernelFactory::
         createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                    m_numPhases,
                                                    dofManager.rankOffset(),
@@ -499,7 +512,7 @@ real64 CompositionalMultiphaseFVM::scalingForSystemSolution( DomainPartition & d
       auto const subRegionData =
         m_isThermal
   ? thermalCompositionalMultiphaseBaseKernels::
-          ScalingForSystemSolutionKernelFactory::
+          SolutionScalingKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_maxRelativePresChange,
                                                      m_maxAbsolutePresChange,
                                                      m_maxRelativeTempChange,
@@ -518,7 +531,7 @@ real64 CompositionalMultiphaseFVM::scalingForSystemSolution( DomainPartition & d
                                                      localSolution,
                                                      temperatureOffset )
   : isothermalCompositionalMultiphaseBaseKernels::
-          ScalingForSystemSolutionKernelFactory::
+          SolutionScalingKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_maxRelativePresChange,
                                                      m_maxAbsolutePresChange,
                                                      m_maxCompFracChange,
@@ -638,10 +651,8 @@ bool CompositionalMultiphaseFVM::checkSystemSolution( DomainPartition & domain,
                                                      m_scalingType,
                                                      scalingFactor,
                                                      pressure,
-
                                                      compDens,
                                                      pressureScalingFactor,
-
                                                      compDensScalingFactor,
                                                      dofManager.rankOffset(),
                                                      m_numComponents,
@@ -1025,7 +1036,7 @@ void CompositionalMultiphaseFVM::applyFaceDirichletBC( real64 const time_n,
       {
         //todo (jafranc) extend upwindScheme name if satisfied in isothermalCase
         thermalCompositionalMultiphaseFVMKernels::
-          DirichletFaceBasedAssemblyKernelFactory::
+          DirichletFluxComputeKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                      m_numPhases,
                                                      dofManager.rankOffset(),
@@ -1043,7 +1054,7 @@ void CompositionalMultiphaseFVM::applyFaceDirichletBC( real64 const time_n,
       else
       {
         isothermalCompositionalMultiphaseFVMKernels::
-          DirichletFaceBasedAssemblyKernelFactory::
+          DirichletFluxComputeKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_numComponents,
                                                      m_numPhases,
                                                      dofManager.rankOffset(),

diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseHybridFVM.cpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseHybridFVM.cpp
@@ -31,7 +31,10 @@
 #include "physicsSolvers/fluidFlow/FlowSolverBaseFields.hpp"
 #include "physicsSolvers/fluidFlow/CompositionalMultiphaseBaseFields.hpp"
 #include "physicsSolvers/fluidFlow/kernels/compositional/CompositionalMultiphaseHybridFVMKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseBaseKernels.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/AccumulationKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/SolutionScalingKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/SolutionCheckKernel.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/ResidualNormKernel.hpp"
 
 /**
  * @namespace the geos namespace that encapsulates the majority of the code
@@ -451,7 +454,7 @@ real64 CompositionalMultiphaseHybridFVM::scalingForSystemSolution( DomainPartiti
       arrayView1d< real64 > compDensScalingFactor = subRegion.getField< fields::flow::globalCompDensityScalingFactor >();
       auto const subRegionData =
         isothermalCompositionalMultiphaseBaseKernels::
-          ScalingForSystemSolutionKernelFactory::
+          SolutionScalingKernelFactory::
           createAndLaunch< parallelDevicePolicy<> >( m_maxRelativePresChange,
                                                      m_maxAbsolutePresChange,
                                                      m_maxCompFracChange,

diff --git a/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseStatistics.cpp b/src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseStatistics.cpp
@@ -19,19 +19,15 @@
 
 #include "CompositionalMultiphaseStatistics.hpp"
 
+#include "mesh/DomainPartition.hpp"
 #include "constitutive/fluid/multifluid/MultiFluidBase.hpp"
 #include "constitutive/relativePermeability/RelativePermeabilityBase.hpp"
 #include "constitutive/solid/CoupledSolidBase.hpp"
-#include "finiteVolume/FiniteVolumeManager.hpp"
-#include "finiteVolume/FluxApproximationBase.hpp"
-#include "mainInterface/ProblemManager.hpp"
-#include "physicsSolvers/PhysicsSolverManager.hpp"
 #include "physicsSolvers/fluidFlow/CompositionalMultiphaseBase.hpp"
 #include "physicsSolvers/fluidFlow/CompositionalMultiphaseBaseFields.hpp"
 #include "physicsSolvers/fluidFlow/CompositionalMultiphaseHybridFVM.hpp"
 #include "physicsSolvers/fluidFlow/FlowSolverBaseFields.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseBaseKernels.hpp"
-#include "physicsSolvers/fluidFlow/kernels/compositional/IsothermalCompositionalMultiphaseFVMKernels.hpp"
+#include "physicsSolvers/fluidFlow/kernels/compositional/StatisticsKernel.hpp"
 #include "physicsSolvers/fluidFlow/LogLevelsInfo.hpp"
 
 

diff --git a/src/coreComponents/physicsSolvers/fluidFlow/ReactiveCompositionalMultiphaseOBL.cpp b/src/coreComponents/physicsSolvers/fluidFlow/ReactiveCompositionalMultiphaseOBL.cpp
@@ -737,7 +737,7 @@ void ReactiveCompositionalMultiphaseOBL::assembleFluxTerms( real64 const dt,
     {
       typename TYPEOFREF( stencil ) ::KernelWrapper stencilWrapper = stencil.createKernelWrapper();
 
-      FaceBasedAssemblyKernelFactory::
+      FluxComputeKernelFactory::
         createAndLaunch< parallelDevicePolicy<> >( m_numPhases,
                                                    m_numComponents,
                                                    m_enableEnergyBalance,