feat: oscillation scaling

.integrated_tests.yaml

@@ -1,6 +1,6 @@
 baselines:
   bucket: geosx
-  baseline: integratedTests/baseline_integratedTests-pr3776-13573-694fc29
+  baseline: integratedTests/baseline_integratedTests-pr3745-13577-97fabfe
 
 allow_fail:
   all: ''

BASELINE_NOTES.md

@@ -6,13 +6,17 @@ 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 #3745 (2025-09-14) <https://storage.googleapis.com/geosx/integratedTests/baseline_integratedTests-pr3745-13577-97fabfe.tar.gz>
+=====================
+Oscillation detection and scaling option.
+
 PR #3776 (2025-09-13) <https://storage.googleapis.com/geosx/integratedTests/baseline_integratedTests-pr3776-13560-88bd98b.tar.gz>
 =====================
 Constitutive cleanup: rebaseline due to technical diffs, no real results changes.
 
 PR #3349 (2025-09-13) <https://storage.googleapis.com/geosx/integratedTests/baseline_integratedTests-pr3349-13555-41d98d4.tar.gz>
 =====================
-Configuration loop acceleration for SolidMechanicsLagrangeContact.
+Configuration loop acceleration for `SolidMechanicsLagrangeContact`.
 
 PR #3812 (2025-09-11) <https://storage.googleapis.com/geosx/integratedTests/baseline_integratedTests-pr3812-13496-8dc0bc6.tar.gz>
 =====================

inputFiles/compositionalMultiphaseFlow/soreideWhitson/lockExchange/lockExchange.ats

@@ -8,8 +8,8 @@ decks = [
     TestDeck(name="lockExchange_rho",
              description="1D lock exchange test for compositional Soreide-Whitson EOS",
              partitions=((1, 1, 1), (2, 1, 2)),
-             restart_step=50,
-             check_step=100,
+             restart_step=20,
+             check_step=30,
              restartcheck_params=RestartcheckParameters(atol=1e-4, rtol=1e-3)),
     TestDeck(name="lockExchange_Z",
              description="1D lock exchange test for compositional Soreide-Whitson EOS (Z-formulation)",

inputFiles/compositionalMultiphaseFlow/soreideWhitson/lockExchange/lockExchange_rho.xml

@@ -13,11 +13,16 @@
 			                           maxTimeStepCuts="100"
 			                           maxSubSteps="1000"
 			                           newtonMaxIter="10"
-			                           logLevel="1"/>
+                                       minTimeStepIncreaseInterval="0"
+			                           logLevel="1"
+                                       oscillationScaling="1"
+                                       oscillationFraction="0.1"
+                                       oscillationScalingFactor="0.9"
+                                       oscillationCheckDepth="2"/>
 			<LinearSolverParameters directParallel="0"/>
 		</CompositionalMultiphaseFVM>
 	</Solvers>
 	<Included>
 		<File name="lockExchange_base.xml"/>
 	</Included>
-</Problem>
+</Problem>

src/coreComponents/physicsSolvers/LinearSolverParameters.cpp

@@ -454,9 +454,7 @@ void LinearSolverParametersInput::print()
     }
   }
   TableLayout const tableLayout = TableLayout( GEOS_FMT( "{}: linear solver", getParent().getName() ),
-                                               { TableLayout::Column()
-                                                   .setName( "Parameter" )
-                                                   .setValuesAlignment( TableLayout::Alignment::left ),
+                                               { TableLayout::Column().setName( "Parameter" ).setValuesAlignment( TableLayout::Alignment::left ),
                                                  "Value" } );
   TableTextFormatter const tableFormatter( tableLayout );
   GEOS_LOG_RANK_0( tableFormatter.toString( tableData ));

src/coreComponents/physicsSolvers/NonlinearSolverParameters.cpp

@@ -180,6 +180,32 @@ NonlinearSolverParameters::NonlinearSolverParameters( string const & name,
     setInputFlag( dataRepository::InputFlags::OPTIONAL ).
     setDescription( "Nonlinear acceleration type for sequential solver." );
 
+  registerWrapper( viewKeysStruct::oscillationScalingString(), &m_oscillationScaling ).
+    setApplyDefaultValue( 0 ).
+    setInputFlag( dataRepository::InputFlags::OPTIONAL ).
+    setDescription( "Flag to enable oscillation detection and scaling. "
+                    "If set to 1, oscillation detection is enabled and the solution will be scaled if oscillations are detected." );
+
+  registerWrapper( viewKeysStruct::oscillationScalingFactorString(), &m_oscillationScalingFactor ).
+    setApplyDefaultValue( 0.5 ).
+    setInputFlag( dataRepository::InputFlags::OPTIONAL ).
+    setDescription( "Scaling factor to dump solution oscillations." );
+
+  registerWrapper( viewKeysStruct::oscillationCheckDepthString(), &m_oscillationCheckDepth ).
+    setApplyDefaultValue( 3 ).
+    setInputFlag( dataRepository::InputFlags::OPTIONAL ).
+    setDescription( "Depth in solution history to check for oscillations." );
+
+  registerWrapper( viewKeysStruct::oscillationToleranceString(), &m_oscillationTolerance ).
+    setApplyDefaultValue( 0.01 ).
+    setInputFlag( dataRepository::InputFlags::OPTIONAL ).
+    setDescription( "Tolerance for oscillation detection." );
+
+  registerWrapper( viewKeysStruct::oscillationFractionString(), &m_oscillationFraction ).
+    setApplyDefaultValue( 0.05 ).
+    setInputFlag( dataRepository::InputFlags::OPTIONAL ).
+    setDescription( "Fraction of dofs oscillating to declare oscillation." );
+
   addLogLevel< logInfo::Convergence >();
   addLogLevel< logInfo::NonlinearSolver >();
   addLogLevel< logInfo::LineSearch >();
@@ -195,6 +221,25 @@ void NonlinearSolverParameters::postInputInitialization()
   GEOS_ERROR_IF_LE_MSG( m_lineSearchResidualFactor, 0.0,
                         getWrapperDataContext( viewKeysStruct::lineSearchResidualFactorString() ) << ": should be positive" );
 
+  if( m_oscillationScaling > 0 )
+  {
+    // check oscillation parameters
+    GEOS_ERROR_IF_LE_MSG( m_oscillationScalingFactor, 0.0,
+                          getWrapperDataContext( viewKeysStruct::oscillationScalingFactorString() ) << ": should be positive" );
+    GEOS_ERROR_IF_GT_MSG( m_oscillationScalingFactor, 1.0,
+                          getWrapperDataContext( viewKeysStruct::oscillationScalingFactorString() ) << ": can not be more than 1.0" );
+    GEOS_ERROR_IF_LT_MSG( m_oscillationCheckDepth, 2,
+                          getWrapperDataContext( viewKeysStruct::oscillationCheckDepthString() ) << ": can not be less than 2" );
+    GEOS_ERROR_IF_LE_MSG( m_oscillationTolerance, 0.0,
+                          getWrapperDataContext( viewKeysStruct::oscillationToleranceString() ) << ": should be positive" );
+    GEOS_ERROR_IF_GE_MSG( m_oscillationTolerance, 1.0,
+                          getWrapperDataContext( viewKeysStruct::oscillationToleranceString() ) << ": can not be more than 1.0" );
+    GEOS_ERROR_IF_LT_MSG( m_oscillationFraction, 0.0,
+                          getWrapperDataContext( viewKeysStruct::oscillationFractionString() ) << ": can not be negative" );
+    GEOS_ERROR_IF_GT_MSG( m_oscillationFraction, 1.0,
+                          getWrapperDataContext( viewKeysStruct::oscillationFractionString() ) << ": can not be more than 1.0" );
+  }
+
   if( getLogLevel() > 0 )
   {
     print();
@@ -237,8 +282,18 @@ void NonlinearSolverParameters::print() const
     tableData.addRow( "Sequential convergence criterion", m_sequentialConvergenceCriterion );
     tableData.addRow( "Subcycling", m_subcyclingOption );
   }
+  tableData.addRow( "Oscillation detection and scaling", m_oscillationScaling );
+  if( m_oscillationScaling > 0 )
+  {
+    tableData.addRow( "  Scaling factor", m_oscillationScalingFactor );
+    tableData.addRow( "  Check depth", m_oscillationCheckDepth );
+    tableData.addRow( "  Tolerance", m_oscillationTolerance );
+    tableData.addRow( "  Fraction of dofs oscillating", m_oscillationFraction );
+  }
+
   TableLayout const tableLayout = TableLayout( GEOS_FMT( "{}: nonlinear solver", getParent().getName() ),
-                                               { "Parameter", "Value" } );
+                                               { TableLayout::Column().setName( "Parameter" ).setValuesAlignment( TableLayout::Alignment::left ),
+                                                 "Value" } );
   TableTextFormatter const tableFormatter( tableLayout );
   GEOS_LOG_RANK_0( tableFormatter.toString( tableData ));
 }

src/coreComponents/physicsSolvers/NonlinearSolverParameters.hpp

@@ -140,6 +140,12 @@ class NonlinearSolverParameters : public dataRepository::Group
     static constexpr char const * sequentialConvergenceCriterionString() { return "sequentialConvergenceCriterion"; }
     static constexpr char const * subcyclingOptionString()               { return "subcycling"; }
     static constexpr char const * nonlinearAccelerationTypeString() { return "nonlinearAccelerationType"; }
+
+    static constexpr char const * oscillationScalingString() { return "oscillationScaling"; }
+    static constexpr char const * oscillationScalingFactorString() { return "oscillationScalingFactor"; }
+    static constexpr char const * oscillationCheckDepthString() { return "oscillationCheckDepth"; }
+    static constexpr char const * oscillationToleranceString() { return "oscillationTolerance"; }
+    static constexpr char const * oscillationFractionString() { return "oscillationFraction"; }
   } viewKeys;
 
   /**
@@ -352,7 +358,22 @@ class NonlinearSolverParameters : public dataRepository::Group
   NonlinearAccelerationType m_nonlinearAccelerationType;
 
   /// Value used to make sure that residual normalizers are not too small when computing residual norm
-  real64 m_minNormalizer = 1e-12;
+  real64 m_minNormalizer;
+
+  /// Flag to enable oscillation detection and scaling
+  integer m_oscillationScaling;
+
+  /// Oscillation scaling factor
+  real64 m_oscillationScalingFactor;
+
+  /// Oscillation check depth in solution history
+  integer m_oscillationCheckDepth;
+
+  /// Tolerance for oscillation detection
+  real64 m_oscillationTolerance;
+
+  /// Fraction of dofs oscillating to declare oscillation
+  real64 m_oscillationFraction;
 };
 
 ENUM_STRINGS( NonlinearSolverParameters::LineSearchAction,

src/coreComponents/physicsSolvers/PhysicsSolverBase.cpp

@@ -1167,7 +1167,11 @@ void PhysicsSolverBase::implicitStepSetup( real64 const & GEOS_UNUSED_PARAM( tim
                                            real64 const & GEOS_UNUSED_PARAM( dt ),
                                            DomainPartition & GEOS_UNUSED_PARAM( domain ) )
 {
-  GEOS_THROW( "PhysicsSolverBase::ImplicitStepSetup called!. Should be overridden.", std::runtime_error );
+  // clean the solution history
+  while( m_solutionHistory.size() > 0 )
+  {
+    m_solutionHistory.eraseArray( 0 );
+  }
 }
 
 void PhysicsSolverBase::setupDofs( DomainPartition const & GEOS_UNUSED_PARAM( domain ),
@@ -1446,9 +1450,29 @@ bool PhysicsSolverBase::checkSystemSolution( DomainPartition & GEOS_UNUSED_PARAM
 
 real64 PhysicsSolverBase::scalingForSystemSolution( DomainPartition & GEOS_UNUSED_PARAM( domain ),
                                                     DofManager const & GEOS_UNUSED_PARAM( dofManager ),
-                                                    arrayView1d< real64 const > const & GEOS_UNUSED_PARAM( localSolution ) )
+                                                    arrayView1d< real64 const > const & localSolution )
 {
-  return 1.0;
+  real64 scalingFactor = 1.0;
+
+  // Check for oscillations
+  if( m_nonlinearSolverParameters.m_oscillationScaling )
+  {
+    if( detectOscillations() )
+    {
+      scalingFactor *= m_nonlinearSolverParameters.m_oscillationScalingFactor;
+      GEOS_LOG_LEVEL_RANK_0( logInfo::NonlinearSolver,
+                             GEOS_FMT( "        {}: oscillation detected, scaling factor set to {}", getName(), scalingFactor ) );
+    }
+
+    m_solutionHistory.appendArray( localSolution.begin(), localSolution.end());
+    if( m_solutionHistory.size() > m_nonlinearSolverParameters.m_oscillationCheckDepth )
+    {
+      // remove the oldest solution from the history
+      m_solutionHistory.eraseArray( 0 );
+    }
+  }
+
+  return scalingFactor;
 }
 
 void PhysicsSolverBase::applySystemSolution( DofManager const & GEOS_UNUSED_PARAM( dofManager ),
@@ -1483,7 +1507,11 @@ void PhysicsSolverBase::resetConfigurationToBeginningOfStep( DomainPartition & G
 
 void PhysicsSolverBase::resetStateToBeginningOfStep( DomainPartition & GEOS_UNUSED_PARAM( domain ) )
 {
-  GEOS_ERROR( "PhysicsSolverBase::ResetStateToBeginningOfStep called!. Should be overridden." );
+  // clean the solution history
+  while( m_solutionHistory.size() > 0 )
+  {
+    m_solutionHistory.eraseArray( 0 );
+  }
 }
 
 bool PhysicsSolverBase::resetConfigurationToDefault( DomainPartition & GEOS_UNUSED_PARAM( domain ) ) const
@@ -1568,6 +1596,63 @@ void PhysicsSolverBase::saveSequentialIterationState( DomainPartition & GEOS_UNU
   GEOS_ERROR( "Call to PhysicsSolverBase::saveSequentialIterationState. Method should be overloaded by the solver" );
 }
 
+// Detect oscillations for all dofs in the solution history
+bool PhysicsSolverBase::detectOscillations() const
+{
+  // grab the parameters
+  integer const oscillationCheckDepth = m_nonlinearSolverParameters.m_oscillationCheckDepth;
+  real64 const oscillationTolerance = m_nonlinearSolverParameters.m_oscillationTolerance;
+  real64 const oscillationFraction = m_nonlinearSolverParameters.m_oscillationFraction;
+
+  if( m_solutionHistory.size() < oscillationCheckDepth )
+    return false; // not enough history to check oscillations
+
+  RAJA::ReduceSum< parallelDeviceReduce, localIndex > oscillationCount( 0 );
+
+  auto const solutionHistory = m_solutionHistory.toViewConst();
+  localIndex const numDofs = m_solutionHistory[0].size();
+  localIndex const historySize = m_solutionHistory.size();
+
+  RAJA::forall< parallelDevicePolicy<> >( RAJA::TypedRangeSegment< localIndex >( 0, numDofs ),
+                                          [=] GEOS_HOST_DEVICE ( localIndex const dof )
+  {
+    bool oscillationDetected = true;
+    for( localIndex i = historySize - 1; i > historySize - oscillationCheckDepth; --i )
+    {
+      real64 dxCur = solutionHistory[i][dof];
+      real64 dxPrev = solutionHistory[i-1][dof];
+
+      if( LvArray::math::abs( dxCur ) < oscillationTolerance || LvArray::math::abs( dxPrev ) < oscillationTolerance )
+      {
+        oscillationDetected = false;
+        break;   // solution changes are too small
+      }
+
+      real64 maxAbs = LvArray::math::max( LvArray::math::abs( dxCur ), LvArray::math::abs( dxPrev ) );
+      if( LvArray::math::abs( dxCur + dxPrev ) / maxAbs > oscillationTolerance )
+      {
+        oscillationDetected = false;
+        break;   // solution changes are not oscillating
+      }
+
+      if( dxCur * dxPrev > 0 )
+      {
+        oscillationDetected = false;
+        break;   // sign is not oscillating
+      }
+    }
+
+    if( oscillationDetected )
+    {
+      oscillationCount += 1;
+    }
+  } );
+
+  real64 const f = static_cast< real64 >( MpiWrapper::sum( oscillationCount.get() ) ) / MpiWrapper::sum( numDofs );
+
+  return f > oscillationFraction;
+}
+
 #if defined(GEOS_USE_PYGEOSX)
 PyTypeObject * PhysicsSolverBase::getPythonType() const
 { return python::getPySolverType(); }

src/coreComponents/physicsSolvers/PhysicsSolverBase.hpp

@@ -973,6 +973,13 @@ class PhysicsSolverBase : public ExecutableGroup
   {
     return m_meshTargets;
   }
+
+  /**
+   * @brief Detect oscillations in the solution
+   * @return true if oscillations are detected, false otherwise
+   */
+  bool detectOscillations() const;
+
 protected:
 
   virtual void postInputInitialization() override;
@@ -1158,6 +1165,9 @@ class PhysicsSolverBase : public ExecutableGroup
   /// Timers for the aggregate profiling of the solver
   std::map< std::string, std::chrono::system_clock::duration > m_timers;
 
+  /// History of the solution vector, used for oscillation detection
+  ArrayOfArrays< real64 > m_solutionHistory;
+
 private:
   /// List of names of regions the solver will be applied to
   string_array m_targetRegionNames;

src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseBase.cpp

@@ -1374,10 +1374,12 @@ void CompositionalMultiphaseBase::initializePostInitialConditionsPreSubGroups()
 }
 
 void
-CompositionalMultiphaseBase::implicitStepSetup( real64 const & GEOS_UNUSED_PARAM( time_n ),
-                                                real64 const & GEOS_UNUSED_PARAM( dt ),
+CompositionalMultiphaseBase::implicitStepSetup( real64 const & time_n,
+                                                real64 const & dt,
                                                 DomainPartition & domain )
 {
+  PhysicsSolverBase::implicitStepSetup( time_n, dt, domain );
+
   forDiscretizationOnMeshTargets( domain.getMeshBodies(), [&]( string const &,
                                                                MeshLevel & mesh,
                                                                string_array const & regionNames )
@@ -2470,6 +2472,8 @@ void CompositionalMultiphaseBase::resetStateToBeginningOfStep( DomainPartition &
 {
   GEOS_MARK_FUNCTION;
 
+  PhysicsSolverBase::resetStateToBeginningOfStep( domain );
+
   forDiscretizationOnMeshTargets( domain.getMeshBodies(), [&]( string const &,
                                                                MeshLevel & mesh,
                                                                string_array const & regionNames )

src/coreComponents/physicsSolvers/fluidFlow/CompositionalMultiphaseFVM.cpp

@@ -616,7 +616,7 @@ real64 CompositionalMultiphaseFVM::scalingForSystemSolution( DomainPartition & d
   else
   {
     string const dofKey = dofManager.getKey( viewKeyStruct::elemDofFieldString() );
-    real64 scalingFactor = 1.0;
+    real64 scalingFactor = CompositionalMultiphaseBase::scalingForSystemSolution( domain, dofManager, localSolution );
     real64 minPresScalingFactor = 1.0, minCompDensScalingFactor = 1.0, minTempScalingFactor = 1.0;
 
     stdVector< MpiWrapper::PairType< real64, globalIndex > > regionDeltaPresMaxLoc;

src/coreComponents/physicsSolvers/multiphysics/CoupledSolver.hpp

@@ -314,7 +314,7 @@ class CoupledSolver : public PhysicsSolverBase
                             DofManager const & dofManager,
                             arrayView1d< real64 const > const & localSolution ) override
   {
-    real64 scalingFactor = 1e9;
+    real64 scalingFactor = PhysicsSolverBase::scalingForSystemSolution( domain, dofManager, localSolution );
     forEachArgInTuple( m_solvers, [&]( auto & solver, auto )
     {
       real64 const singlePhysicsScalingFactor = solver->scalingForSystemSolution( domain, dofManager, localSolution );