FluxComputeKernel.hpp

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/*
 * ------------------------------------------------------------------------------------------------------------
 * SPDX-License-Identifier: LGPL-2.1-only
 *
 * Copyright (c) 2016-2024 Lawrence Livermore National Security LLC
 * Copyright (c) 2018-2024 TotalEnergies
 * Copyright (c) 2018-2024 The Board of Trustees of the Leland Stanford Junior University
 * Copyright (c) 2023-2024 Chevron
 * Copyright (c) 2019-     GEOS/GEOSX Contributors
 * All rights reserved
 *
 * See top level LICENSE, COPYRIGHT, CONTRIBUTORS, NOTICE, and ACKNOWLEDGEMENTS files for details.
 * ------------------------------------------------------------------------------------------------------------
 */
 
#ifndef GEOS_PHYSICSSOLVERS_FLUIDFLOW_COMPOSITIONAL_FLUXCOMPUTEKERNEL_HPP
#define GEOS_PHYSICSSOLVERS_FLUIDFLOW_COMPOSITIONAL_FLUXCOMPUTEKERNEL_HPP
 
#include "physicsSolvers/fluidFlow/kernels/compositional/FluxComputeKernelBase.hpp"
 
#include "codingUtilities/Utilities.hpp"
#include "common/DataLayouts.hpp"
#include "common/DataTypes.hpp"
#include "common/GEOS_RAJA_Interface.hpp"
#include "constitutive/fluid/multifluid/MultiFluidFields.hpp"
#include "physicsSolvers/fluidFlow/FlowSolverBaseFields.hpp"
#include "physicsSolvers/fluidFlow/CompositionalMultiphaseBaseFields.hpp"
#include "physicsSolvers/fluidFlow/CompositionalMultiphaseUtilities.hpp"
#include "physicsSolvers/fluidFlow/StencilAccessors.hpp"
#include "physicsSolvers/fluidFlow/kernels/compositional/KernelLaunchSelectors.hpp"
#include "physicsSolvers/fluidFlow/kernels/compositional/PPUPhaseFlux.hpp"
#include "physicsSolvers/fluidFlow/kernels/compositional/C1PPUPhaseFlux.hpp"
#include "physicsSolvers/fluidFlow/kernels/compositional/IHUPhaseFlux.hpp"
 
namespace geos
{
 
namespace isothermalCompositionalMultiphaseFVMKernels
{
 
template< integer NUM_COMP, integer NUM_DOF, typename STENCILWRAPPER >
class FluxComputeKernel : public FluxComputeKernelBase
{
public:
 
  static constexpr integer numComp = NUM_COMP;
 
  static constexpr integer numDof = NUM_DOF;
 
  static constexpr integer numEqn = NUM_DOF-1;
 
  static constexpr localIndex maxNumElems = STENCILWRAPPER::maxNumPointsInFlux;
 
  static constexpr localIndex maxNumConns = STENCILWRAPPER::maxNumConnections;
 
  static constexpr localIndex maxStencilSize = STENCILWRAPPER::maxStencilSize;
 
  static constexpr integer numFluxSupportPoints = 2;
 
  FluxComputeKernel( integer const numPhases,
                     globalIndex const rankOffset,
                     STENCILWRAPPER const & stencilWrapper,
                     DofNumberAccessor const & dofNumberAccessor,
                     CompFlowAccessors const & compFlowAccessors,
                     MultiFluidAccessors const & multiFluidAccessors,
                     CapPressureAccessors const & capPressureAccessors,
                     PermeabilityAccessors const & permeabilityAccessors,
                     real64 const dt,
                     CRSMatrixView< real64, globalIndex const > const & localMatrix,
                     arrayView1d< real64 > const & localRhs,
                     BitFlags< KernelFlags > kernelFlags )
    : FluxComputeKernelBase( numPhases,
                             rankOffset,
                             dofNumberAccessor,
                             compFlowAccessors,
                             multiFluidAccessors,
                             dt,
                             localMatrix,
                             localRhs,
                             kernelFlags ),
    m_permeability( permeabilityAccessors.get( fields::permeability::permeability {} ) ),
    m_dPerm_dPres( permeabilityAccessors.get( fields::permeability::dPerm_dPressure {} ) ),
    m_phaseMob( compFlowAccessors.get( fields::flow::phaseMobility {} ) ),
    m_dPhaseMob( compFlowAccessors.get( fields::flow::dPhaseMobility {} ) ),
    m_phaseMassDens( multiFluidAccessors.get( fields::multifluid::phaseMassDensity {} ) ),
    m_dPhaseMassDens( multiFluidAccessors.get( fields::multifluid::dPhaseMassDensity {} ) ),
    m_phaseCapPressure( capPressureAccessors.get( fields::cappres::phaseCapPressure {} ) ),
    m_dPhaseCapPressure_dPhaseVolFrac( capPressureAccessors.get( fields::cappres::dPhaseCapPressure_dPhaseVolFraction {} ) ),
    m_stencilWrapper( stencilWrapper ),
    m_seri( stencilWrapper.getElementRegionIndices() ),
    m_sesri( stencilWrapper.getElementSubRegionIndices() ),
    m_sei( stencilWrapper.getElementIndices() )
  { }
 
  struct StackVariables
  {
public:
 
    GEOS_HOST_DEVICE
    StackVariables( localIndex const size, localIndex numElems )
      : stencilSize( size ),
      numConnectedElems( numElems ),
      dofColIndices( size * numDof ),
      localFlux( numElems * numEqn ),
      localFluxJacobian( numElems * numEqn, size * numDof )
    {}
 
    // Stencil information
 
    localIndex const stencilSize;
    localIndex const numConnectedElems;
 
    // Transmissibility and derivatives
 
    real64 transmissibility[maxNumConns][numFluxSupportPoints]{};
    real64 dTrans_dPres[maxNumConns][numFluxSupportPoints]{};
 
    // Local degrees of freedom and local residual/jacobian
 
    stackArray1d< globalIndex, maxNumElems * numDof > dofColIndices;
 
    stackArray1d< real64, maxNumElems * numEqn > localFlux;
    stackArray2d< real64, maxNumElems * numEqn * maxStencilSize * numDof > localFluxJacobian;
  };
 
 
  GEOS_HOST_DEVICE
  inline
  localIndex stencilSize( localIndex const iconn ) const { return m_sei[iconn].size(); }
 
  GEOS_HOST_DEVICE
  inline
  localIndex numPointsInFlux( localIndex const iconn ) const { return m_stencilWrapper.numPointsInFlux( iconn ); }
 
 
  GEOS_HOST_DEVICE
  inline
  void setup( localIndex const iconn,
              StackVariables & stack ) const
  {
    // set degrees of freedom indices for this face
    for( integer i = 0; i < stack.stencilSize; ++i )
    {
      globalIndex const offset = m_dofNumber[m_seri( iconn, i )][m_sesri( iconn, i )][m_sei( iconn, i )];
 
      for( integer jdof = 0; jdof < numDof; ++jdof )
      {
        stack.dofColIndices[i * numDof + jdof] = offset + jdof;
      }
    }
  }
 
  template< typename FUNC = NoOpFunc >
  GEOS_HOST_DEVICE
  inline
  void computeFlux( localIndex const iconn,
                    StackVariables & stack,
                    FUNC && compFluxKernelOp = NoOpFunc{} ) const
  {
 
    // first, compute the transmissibilities at this face
    m_stencilWrapper.computeWeights( iconn,
                                     m_permeability,
                                     m_dPerm_dPres,
                                     stack.transmissibility,
                                     stack.dTrans_dPres );
 
 
    localIndex k[numFluxSupportPoints];
    localIndex connectionIndex = 0;
    for( k[0] = 0; k[0] < stack.numConnectedElems; ++k[0] )
    {
      for( k[1] = k[0] + 1; k[1] < stack.numConnectedElems; ++k[1] )
      {
        localIndex const seri[numFluxSupportPoints]  = {m_seri( iconn, k[0] ), m_seri( iconn, k[1] )};
        localIndex const sesri[numFluxSupportPoints] = {m_sesri( iconn, k[0] ), m_sesri( iconn, k[1] )};
        localIndex const sei[numFluxSupportPoints]   = {m_sei( iconn, k[0] ), m_sei( iconn, k[1] )};
 
        // clear working arrays
        real64 compFlux[numComp]{};
        real64 dCompFlux_dP[numFluxSupportPoints][numComp]{};
        real64 dCompFlux_dC[numFluxSupportPoints][numComp][numComp]{};
        real64 dCompFlux_dTrans[numComp]{};
 
        real64 const trans[numFluxSupportPoints] = { stack.transmissibility[connectionIndex][0],
                                                     stack.transmissibility[connectionIndex][1] };
 
        real64 const dTrans_dPres[numFluxSupportPoints] = { stack.dTrans_dPres[connectionIndex][0],
                                                            stack.dTrans_dPres[connectionIndex][1] };
 
        //***** calculation of flux *****
        // loop over phases, compute and upwind phase flux and sum contributions to each component's flux
        for( integer ip = 0; ip < m_numPhases; ++ip )
        {
          // create local work arrays
          real64 potGrad = 0.0;
          real64 phaseFlux = 0.0;
          real64 dPhaseFlux_dP[numFluxSupportPoints]{};
          real64 dPhaseFlux_dC[numFluxSupportPoints][numComp]{};
 
          localIndex k_up = -1;
 
          if( m_kernelFlags.isSet( KernelFlags::C1PPU ) )
          {
            isothermalCompositionalMultiphaseFVMKernelUtilities::C1PPUPhaseFlux::compute< numComp, numFluxSupportPoints >
              ( m_numPhases,
              ip,
              m_kernelFlags.isSet( KernelFlags::CapPressure ),
              m_kernelFlags.isSet( KernelFlags::CheckPhasePresenceInGravity ),
              seri, sesri, sei,
              trans,
              dTrans_dPres,
              m_pres,
              m_gravCoef,
              m_phaseMob, m_dPhaseMob,
              m_phaseVolFrac, m_dPhaseVolFrac,
              m_phaseCompFrac, m_dPhaseCompFrac,
              m_dCompFrac_dCompDens,
              m_phaseMassDens, m_dPhaseMassDens,
              m_phaseCapPressure, m_dPhaseCapPressure_dPhaseVolFrac,
              k_up,
              potGrad,
              phaseFlux,
              dPhaseFlux_dP,
              dPhaseFlux_dC,
              compFlux,
              dCompFlux_dP,
              dCompFlux_dC );
          }
          else if( m_kernelFlags.isSet( KernelFlags::IHU ) )
          {
            isothermalCompositionalMultiphaseFVMKernelUtilities::IHUPhaseFlux::compute< numComp, numFluxSupportPoints >
              ( m_numPhases,
              ip,
              m_kernelFlags.isSet( KernelFlags::CapPressure ),
              m_kernelFlags.isSet( KernelFlags::CheckPhasePresenceInGravity ),
              seri, sesri, sei,
              trans,
              dTrans_dPres,
              m_pres,
              m_gravCoef,
              m_phaseMob, m_dPhaseMob,
              m_phaseVolFrac, m_dPhaseVolFrac,
              m_phaseCompFrac, m_dPhaseCompFrac,
              m_dCompFrac_dCompDens,
              m_phaseMassDens, m_dPhaseMassDens,
              m_phaseCapPressure, m_dPhaseCapPressure_dPhaseVolFrac,
              k_up,
              potGrad,
              phaseFlux,
              dPhaseFlux_dP,
              dPhaseFlux_dC,
              compFlux,
              dCompFlux_dP,
              dCompFlux_dC );
          }
          else
          {
            isothermalCompositionalMultiphaseFVMKernelUtilities::PPUPhaseFlux::compute< numComp, numFluxSupportPoints >
              ( m_numPhases,
              ip,
              m_kernelFlags.isSet( KernelFlags::CapPressure ),
              m_kernelFlags.isSet( KernelFlags::CheckPhasePresenceInGravity ),
              seri, sesri, sei,
              trans,
              dTrans_dPres,
              m_pres,
              m_gravCoef,
              m_phaseMob, m_dPhaseMob,
              m_phaseVolFrac, m_dPhaseVolFrac,
              m_phaseCompFrac, m_dPhaseCompFrac,
              m_dCompFrac_dCompDens,
              m_phaseMassDens, m_dPhaseMassDens,
              m_phaseCapPressure, m_dPhaseCapPressure_dPhaseVolFrac,
              k_up,
              potGrad,
              phaseFlux,
              dPhaseFlux_dP,
              dPhaseFlux_dC,
              compFlux,
              dCompFlux_dP,
              dCompFlux_dC,
              dCompFlux_dTrans );
          }
 
          // call the lambda in the phase loop to allow the reuse of the phase fluxes and their derivatives
          // possible use: assemble the derivatives wrt temperature, and the flux term of the energy equation for this phase
          compFluxKernelOp( ip, m_kernelFlags.isSet( KernelFlags::CheckPhasePresenceInGravity ),
                            k, seri, sesri, sei, connectionIndex,
                            k_up, seri[k_up], sesri[k_up], sei[k_up], potGrad,
                            phaseFlux, dPhaseFlux_dP, dPhaseFlux_dC );
 
        }   // loop over phases
 
        for( integer ic = 0; ic < numComp; ++ic )
        {
          integer const eqIndex0 = k[0] * numEqn + ic;
          integer const eqIndex1 = k[1] * numEqn + ic;
 
          stack.localFlux[eqIndex0]  +=  m_dt * compFlux[ic];
          stack.localFlux[eqIndex1]  -=  m_dt * compFlux[ic];
 
          for( integer ke = 0; ke < numFluxSupportPoints; ++ke )
          {
            localIndex const localDofIndexPres = k[ke] * numDof;
            stack.localFluxJacobian[eqIndex0][localDofIndexPres] += m_dt * dCompFlux_dP[ke][ic];
            stack.localFluxJacobian[eqIndex1][localDofIndexPres] -= m_dt * dCompFlux_dP[ke][ic];
 
            for( integer jc = 0; jc < numComp; ++jc )
            {
              localIndex const localDofIndexComp = localDofIndexPres + jc + 1;
              stack.localFluxJacobian[eqIndex0][localDofIndexComp] += m_dt * dCompFlux_dC[ke][ic][jc];
              stack.localFluxJacobian[eqIndex1][localDofIndexComp] -= m_dt * dCompFlux_dC[ke][ic][jc];
            }
          }
        }
        connectionIndex++;
      }   // loop over k[1]
    }   // loop over k[0]
 
  }
 
  template< typename FUNC = NoOpFunc >
  GEOS_HOST_DEVICE
  inline
  void complete( localIndex const iconn,
                 StackVariables & stack,
                 FUNC && assemblyKernelOp = NoOpFunc{} ) const
  {
    using namespace compositionalMultiphaseUtilities;
 
    if( m_kernelFlags.isSet( KernelFlags::TotalMassEquation ) )
    {
      // Apply equation/variable change transformation(s)
      stackArray1d< real64, maxStencilSize * numDof > work( stack.stencilSize * numDof );
      shiftBlockRowsAheadByOneAndReplaceFirstRowWithColumnSum( numComp, numEqn, numDof * stack.stencilSize, stack.numConnectedElems,
                                                               stack.localFluxJacobian, work );
      shiftBlockElementsAheadByOneAndReplaceFirstElementWithSum( numComp, numEqn, stack.numConnectedElems,
                                                                 stack.localFlux );
    }
 
    // add contribution to residual and jacobian into:
    // - the component mass balance equations (i = 0 to i = numComp-1)
    // note that numDof includes derivatives wrt temperature if this class is derived in ThermalKernels
    for( integer i = 0; i < stack.numConnectedElems; ++i )
    {
      if( m_ghostRank[m_seri( iconn, i )][m_sesri( iconn, i )][m_sei( iconn, i )] < 0 )
      {
        globalIndex const globalRow = m_dofNumber[m_seri( iconn, i )][m_sesri( iconn, i )][m_sei( iconn, i )];
        localIndex const localRow = LvArray::integerConversion< localIndex >( globalRow - m_rankOffset );
        GEOS_ASSERT_GE( localRow, 0 );
        GEOS_ASSERT_GT( m_localMatrix.numRows(), localRow + numComp );
 
        for( integer ic = 0; ic < numComp; ++ic )
        {
          RAJA::atomicAdd( parallelDeviceAtomic{}, &m_localRhs[localRow + ic],
                           stack.localFlux[i * numEqn + ic] );
          m_localMatrix.addToRowBinarySearchUnsorted< parallelDeviceAtomic >
            ( localRow + ic,
            stack.dofColIndices.data(),
            stack.localFluxJacobian[i * numEqn + ic].dataIfContiguous(),
            stack.stencilSize * numDof );
        }
 
        // call the lambda to assemble additional terms, such as thermal terms
        assemblyKernelOp( i, localRow );
      }
    }
  }
 
  template< typename POLICY, typename KERNEL_TYPE >
  static void
  launch( localIndex const numConnections,
          KERNEL_TYPE const & kernelComponent )
  {
    GEOS_MARK_FUNCTION;
    forAll< POLICY >( numConnections, [=] GEOS_HOST_DEVICE ( localIndex const iconn )
    {
      typename KERNEL_TYPE::StackVariables stack( kernelComponent.stencilSize( iconn ),
                                                  kernelComponent.numPointsInFlux( iconn ) );
 
      kernelComponent.setup( iconn, stack );
      kernelComponent.computeFlux( iconn, stack );
      kernelComponent.complete( iconn, stack );
    } );
  }
 
protected:
 
  ElementViewConst< arrayView3d< real64 const > > const m_permeability;
  ElementViewConst< arrayView3d< real64 const > > const m_dPerm_dPres;
 
  ElementViewConst< arrayView2d< real64 const, compflow::USD_PHASE > > const m_phaseMob;
  ElementViewConst< arrayView3d< real64 const, compflow::USD_PHASE_DC > > const m_dPhaseMob;
 
  ElementViewConst< arrayView3d< real64 const, constitutive::multifluid::USD_PHASE > > const m_phaseMassDens;
  ElementViewConst< arrayView4d< real64 const, constitutive::multifluid::USD_PHASE_DC > > const m_dPhaseMassDens;
 
  ElementViewConst< arrayView3d< real64 const, constitutive::cappres::USD_CAPPRES > > const m_phaseCapPressure;
  ElementViewConst< arrayView4d< real64 const, constitutive::cappres::USD_CAPPRES_DS > > const m_dPhaseCapPressure_dPhaseVolFrac;
 
  // Stencil information
 
  STENCILWRAPPER const m_stencilWrapper;
 
  typename STENCILWRAPPER::IndexContainerViewConstType const m_seri;
  typename STENCILWRAPPER::IndexContainerViewConstType const m_sesri;
  typename STENCILWRAPPER::IndexContainerViewConstType const m_sei;
 
};
 
class FluxComputeKernelFactory
{
public:
 
  template< typename POLICY, typename STENCILWRAPPER >
  static void
  createAndLaunch( integer const numComps,
                   integer const numPhases,
                   globalIndex const rankOffset,
                   string const & dofKey,
                   BitFlags< KernelFlags > kernelFlags,
                   string const & solverName,
                   ElementRegionManager const & elemManager,
                   STENCILWRAPPER const & stencilWrapper,
                   real64 const dt,
                   CRSMatrixView< real64, globalIndex const > const & localMatrix,
                   arrayView1d< real64 > const & localRhs )
  {
    isothermalCompositionalMultiphaseBaseKernels::internal::kernelLaunchSelectorCompSwitch( numComps, [&]( auto NC )
    {
      integer constexpr NUM_COMP = NC();
      integer constexpr NUM_DOF = NC() + 1;
 
      ElementRegionManager::ElementViewAccessor< arrayView1d< globalIndex const > > dofNumberAccessor =
        elemManager.constructArrayViewAccessor< globalIndex, 1 >( dofKey );
      dofNumberAccessor.setName( solverName + "/accessors/" + dofKey );
 
      using kernelType = FluxComputeKernel< NUM_COMP, NUM_DOF, STENCILWRAPPER >;
      typename kernelType::CompFlowAccessors compFlowAccessors( elemManager, solverName );
      typename kernelType::MultiFluidAccessors multiFluidAccessors( elemManager, solverName );
      typename kernelType::CapPressureAccessors capPressureAccessors( elemManager, solverName );
      typename kernelType::PermeabilityAccessors permeabilityAccessors( elemManager, solverName );
 
      kernelType kernel( numPhases, rankOffset, stencilWrapper, dofNumberAccessor,
                         compFlowAccessors, multiFluidAccessors, capPressureAccessors, permeabilityAccessors,
                         dt, localMatrix, localRhs, kernelFlags );
      kernelType::template launch< POLICY >( stencilWrapper.size(), kernel );
    } );
  }
};
 
} // namespace isothermalCompositionalMultiphaseFVMKernels
 
} // namespace geos
 
#endif //GEOS_PHYSICSSOLVERS_FLUIDFLOW_COMPOSITIONAL_FLUXCOMPUTEKERNEL_HPP