Merge pull request #98 from ParticulateFlow/feature/openfoam6

Update to OpenFOAM 6

applications/solvers/cfdemSolverMultiphase/Make/options

@@ -1,6 +1,10 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
 EXE_INC = \
+     $(PFLAGS) \
     -I$(CFDEM_OFVERSION_DIR) \
     -ImultiphaseMixture/lnInclude \
     -I$(LIB_SRC)/transportModels \

applications/solvers/cfdemSolverMultiphase/cfdemSolverMultiphase.C

@@ -46,6 +46,11 @@ Description
 
 int main(int argc, char *argv[])
 {
+
+#if OPENFOAM_VERSION_MAJOR >= 6
+    FatalError << "cfdemSolverMultiphase requires OpenFOAM 4.x or 5.x to work properly" << exit(FatalError);
+#endif
+
     #include "postProcess.H"
     #include "setRootCase.H"
     #include "createTime.H"

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/Make/options

@@ -1,4 +1,8 @@
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
 EXE_INC = \
+     $(PFLAGS) \
     -IalphaContactAngle \
     -I$(LIB_SRC)/transportModels \
     -I$(LIB_SRC)/transportModels/incompressible/lnInclude \

applications/solvers/cfdemSolverMultiphase/multiphaseMixture/multiphaseMixture.C

@@ -679,8 +679,13 @@ void Foam::multiphaseMixture::solveAlphas
             alphaPhiCorr,
             zeroField(),
             zeroField(),
+#if OPENFOAM_VERSION_MAJOR < 6
             1,
             0,
+#else
+            oneField(),
+            zeroField(),
+#endif
             true
         );
 

applications/solvers/cfdemSolverRhoPimple/Make/options

@@ -1,5 +1,7 @@
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
 PFLAGS+= -Dcompre
 
 EXE_INC = \

applications/solvers/cfdemSolverRhoPimple/cfdemSolverRhoPimple.C

@@ -113,7 +113,11 @@ int main(int argc, char *argv[])
 
         particleCloud.clockM().start(26,"Flow");
 
+#if OPENFOAM_VERSION_MAJOR < 6
         if (pimple.nCorrPIMPLE() <= 1)
+#else
+        if (pimple.nCorrPimple() <= 1)
+#endif
         {
             #include "rhoEqn.H"
         }

applications/solvers/cfdemSolverRhoPimpleChem/Make/options

@@ -1,5 +1,7 @@
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
 PFLAGS+= -Dcompre
 
 EXE_INC = \
@@ -19,12 +21,8 @@ EXE_INC = \
     -I$(LIB_SRC)/thermophysicalModels/specie/lnInclude \
     -I$(LIB_SRC)/transportModels/compressible/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/basic/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/properties/liquidMixtureProperties/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/thermophysicalFunctions/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/reactionThermo/lnInclude \
     -I$(LIB_SRC)/thermophysicalModels/chemistryModel/lnInclude \
-    -I$(LIB_SRC)/thermophysicalModels/radiationModels/lnInclude \
     -I$(LIB_SRC)/regionModels/regionModel/lnInclude \
     -I$(LIB_SRC)/regionModels/surfaceFilmModels/lnInclude \
     -I$(LIB_SRC)/ODE/lnInclude \
@@ -48,9 +46,6 @@ EXE_LIBS = \
     -l$(CFDEM_LIB_COMP_NAME) \
      $(CFDEM_ADD_LIB_PATHS) \
      $(CFDEM_ADD_LIBS) \
-    -lliquidProperties \
-    -lliquidMixtureProperties \
-    -lthermophysicalFunctions \
     -lreactionThermophysicalModels \
     -lchemistryModel \
     -lradiationModels \

applications/solvers/cfdemSolverRhoPimpleChem/YEqn.H

@@ -13,7 +13,11 @@ tmp<fv::convectionScheme<scalar> > mvConvection
 
 {
     combustion->correct();
+#if OPENFOAM_VERSION_MAJOR < 5
     dQ = combustion->dQ();
+#else
+    Qdot = combustion->Qdot();
+#endif
     label inertIndex = -1;
     volScalarField Yt(0.0*Y[0]);
 
@@ -72,4 +76,5 @@ tmp<fv::convectionScheme<scalar> > mvConvection
         Y[inertIndex].max(0.0);
     }
 }
+
 particleCloud.clockM().stop("Y");

applications/solvers/cfdemSolverRhoPimpleChem/cfdemSolverRhoPimpleChem.C

@@ -30,7 +30,12 @@ Description
 
 #include "fvCFD.H"
 #include "turbulentFluidThermoModel.H"
+#if OPENFOAM_VERSION_MAJOR < 6
 #include "rhoCombustionModel.H"
+#else
+#include "rhoReactionThermo.H"
+#include "CombustionModel.H"
+#endif
 #include "bound.H"
 #include "pimpleControl.H"
 #include "fvOptions.H"
@@ -115,7 +120,11 @@ int main(int argc, char *argv[])
 
        particleCloud.clockM().start(26,"Flow");
 
+#if OPENFOAM_VERSION_MAJOR < 6
         if (pimple.nCorrPIMPLE() <= 1)
+#else
+        if (pimple.nCorrPimple() <= 1)
+#endif
         {
             #include "rhoEqn.H"
         }

applications/solvers/cfdemSolverRhoPimpleChem/createFields.H

@@ -1,20 +1,28 @@
     //  thermodynamics, chemistry
 
+#if OPENFOAM_VERSION_MAJOR < 6
     Info<< "Creating combustion model\n" << endl;
-
     autoPtr<combustionModels::rhoCombustionModel> combustion
     (
         combustionModels::rhoCombustionModel::New(mesh)
     );
-
     rhoReactionThermo& thermo = combustion->thermo();
+#else
+    Info<< "Reading thermophysical properties\n" << endl;
+    autoPtr<rhoReactionThermo> pThermo(rhoReactionThermo::New(mesh));
+    rhoReactionThermo& thermo = pThermo();
+#endif
     thermo.validate(args.executable(), "h", "e");
 
     basicSpecieMixture& composition = thermo.composition();
     PtrList<volScalarField>& Y = composition.Y();
 
     // read molecular weight
+#if OPENFOAM_VERSION_MAJOR < 6
     volScalarField W(composition.W());
+#else
+    volScalarField W(thermo.W());
+#endif
 
     bool propagateInertSpecie = true;
 
@@ -198,6 +206,14 @@
         )
     );
 
+#if OPENFOAM_VERSION_MAJOR >= 6
+    Info<< "Creating combustion model\n" << endl;
+    autoPtr<CombustionModel<rhoReactionThermo>> combustion
+    (
+        CombustionModel<rhoReactionThermo>::New(thermo, turbulence())
+    );
+#endif
+
     Info<< "Creating field dpdt\n" << endl;
     volScalarField dpdt
     (
@@ -214,6 +230,7 @@
     Info<< "Creating field kinetic energy K\n" << endl;
     volScalarField K("K", 0.5*magSqr(U));
 
+#if OPENFOAM_VERSION_MAJOR < 5
     volScalarField dQ
     (
         IOobject
@@ -227,6 +244,21 @@
         mesh,
         dimensionedScalar("dQ", dimEnergy/dimTime, 0.0)
     );
+#else
+    volScalarField Qdot
+    (
+        IOobject
+        (
+            "Qdot",
+            runTime.timeName(),
+            mesh,
+            IOobject::NO_READ,
+            IOobject::AUTO_WRITE
+        ),
+        mesh,
+        dimensionedScalar("Qdot", dimEnergy/dimVolume/dimTime, 0.0)
+    );
+#endif
 
     Info<< "\nReading momentum exchange field Ksl\n" << endl;
     volScalarField Ksl

applications/solvers/rStatAnalysis/Make/options

@@ -23,4 +23,4 @@ EXE_LIBS = \
     -lmeshTools \
     -l$(CFDEM_LIB_NAME) \
      $(CFDEM_ADD_LIB_PATHS) \
-$(CFDEM_ADD_LIBS)
+     $(CFDEM_ADD_LIBS)

applications/solvers/rStatAnalysis/rStatAnalysis.C

@@ -29,11 +29,6 @@ Description
 
 \*---------------------------------------------------------------------------*/
 
-// #include "fvCFD.H"
-// #include "singlePhaseTransportModel.H"
-// #include "turbulentTransportModel.H"
-// #include "fvOptions.H"
-
 #include "recBase.H"
 #include "recStatAnalysis.H"
 

applications/solvers/rcfdemSolverRhoSteadyPimple/Make/options

@@ -1,5 +1,7 @@
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
 PFLAGS+= -Dcompre
 
 EXE_INC = \

applications/solvers/rcfdemSolverRhoSteadyPimple/rcfdemSolverRhoSteadyPimple.C

@@ -69,15 +69,15 @@ int main(int argc, char *argv[])
     #include "createFvOptions.H"
 
     // create cfdemCloud
-  //  #include "readGravitationalAcceleration.H"
+    //#include "readGravitationalAcceleration.H"
     cfdemCloudRec<cfdemCloudEnergy> particleCloud(mesh);
     #include "checkModelType.H"
     recBase recurrenceBase(mesh);
     #include "updateFields.H"
 
     turbulence->validate();
-  //        #include "compressibleCourantNo.H"
+    //#include "compressibleCourantNo.H"
-  //  #include "setInitialDeltaT.H"
+    //#include "setInitialDeltaT.H"
 
     // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -108,8 +108,8 @@ int main(int argc, char *argv[])
         particleCloud.clockM().start(2,"Coupling");
         bool hasEvolved = particleCloud.evolve(voidfraction,Us,U);
 
-//voidfraction = voidfractionRec;
+        //voidfraction = voidfractionRec;
-//Us = UsRec;
+        //Us = UsRec;
 
         if(hasEvolved)
         {
@@ -137,7 +137,11 @@ int main(int argc, char *argv[])
             while (pimple.loop())
             {
                 // if needed, perform drag update here
+#if OPENFOAM_VERSION_MAJOR < 6
                 if (pimple.nCorrPIMPLE() <= 1)
+#else
+                if (pimple.nCorrPimple() <= 1)
+#endif
                 {
                     #include "rhoEqn.H"
                 }

etc/bashrc

@@ -25,7 +25,7 @@ export CFDEM_VERSION=19.09
 # Please set to the appropriate path if the default is not correct.
 #
 # activate compatible OpenFOAM version
-. $HOME/OpenFOAM/OpenFOAM-4.x/etc/bashrc
+. $HOME/OpenFOAM/OpenFOAM-6/etc/bashrc
 #
 # CFDEMcoupling
 export CFDEM_INST_DIR=$HOME/$CFDEM_PROJECT

etc/cshrc

@@ -23,7 +23,7 @@ setenv CFDEM_VERSION 19.09
 # Please set to the appropriate path if the default is not correct.
 #
 # activate compatible OpenFOAM version
-. $HOME/OpenFOAM/OpenFOAM-4.x/etc/cshrc
+. $HOME/OpenFOAM/OpenFOAM-6/etc/cshrc
 #
 # CFDEMcoupling
 setenv CFDEM_INST_DIR $HOME/$CFDEM_PROJECT

src/lagrangian/cfdemParticle/Make/options

@@ -3,6 +3,8 @@ sinclude $(RULES)/mplib$(WM_MPLIB)
 
 GIT_VERSION := $(shell git describe --dirty --always --tags)
 PFLAGS+= -DGITVERSION=\"$(GIT_VERSION)\"
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
 
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 

src/lagrangian/cfdemParticle/cfdTools/versionInfo.H

@@ -36,7 +36,7 @@ Description
 
 word CFDEMversion="PFM 19.09";
 word compatibleLIGGGHTSversion="PFM 19.09";
-word OFversion="4.x";
+word OFversion="6";
 
 Info << "\nCFDEMcoupling version: " << CFDEMversion <<  endl;
 Info << "compatible to LIGGGHTS version: " << compatibleLIGGGHTSversion <<  endl;

src/lagrangian/cfdemParticle/subModels/IOModel/IOModel/IOModel.C

@@ -30,6 +30,7 @@ Description
 \*---------------------------------------------------------------------------*/
 
 #include "error.H"
+#include "particle.H"
 #include "IOModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -99,13 +100,22 @@ void IOModel::streamDataToPath(const fileName& path, const double* const* array,
     OFstream fileStream(path/name);
 
     fileStream
-        << "FoamFile\n{\n"
+        << "/*--------------------------------*- C++ -*----------------------------------*\\" << nl
-        << "    version     " << fileStream.version() << ";\n"
+        << "  =========                 |" << nl
-        << "    format      " << fileStream.format() << ";\n"
+        << "  \\\\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox" << nl
-        << "    class       " << className << ";\n"
+        << "   \\\\    /   O peration     | Website:  https://openfoam.org" << nl
-        << "    location    " << 0 << ";\n"
+        << "    \\\\  /    A nd           | Version:  " << FOAMversion << nl
-        << "    object      " << name << ";\n"
+        << "     \\\\/     M anipulation  |" << nl
-        << "}" << nl;
+        << "\\*---------------------------------------------------------------------------*/" << nl
+        << "FoamFile" << nl
+        << "{" << nl
+        << "    version     " << fileStream.version() << ";" << nl
+        << "    format      " << fileStream.format() << ";" << nl
+        << "    class       " << className << ";" << nl
+        << "    location    " << 0 << ";" << nl
+        << "    object      " << name << ";" << nl
+        << "}" << nl
+        << "// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //" << nl << nl;
 
     fileStream << nPProc << "\n";
 
@@ -129,7 +139,19 @@ void IOModel::streamDataToPath(const fileName& path, const double* const* array,
             }
             else if (type == "position")
             {
-                fileStream << "( "<< array[index][0] << " " << array[index][1] << " " << array[index][2] << " ) " << cellIDs[index][0] << " \n";
+#if OPENFOAM_VERSION_MAJOR < 5
+                fileStream << "( " << array[index][0] << " " << array[index][1] << " " << array[index][2] << " ) " << cellIDs[index][0] << nl;
+#else
+                particle part
+                (
+                    particleCloud_.mesh(),
+                    vector(array[index][0],array[index][1],array[index][2]),
+                    cellIDs[index][0]
+                );
+
+                part.writePosition(fileStream);
+                fileStream << nl;
+#endif
             }
             else if (type == "vector")
             {

src/lagrangian/cfdemParticle/subModels/forceModel/KochHillRWDrag/KochHillRWDrag.C

@@ -291,7 +291,11 @@ void KochHillRWDrag::setForce() const
                     // modify current fluid velocity
                     for (int dim=0; dim<3; dim++)
                     {
+#if OPENFOAM_VERSION_MAJOR < 6
                         partUfluct_[index][dim] = RanGen_.GaussNormal()*sqrt(2.*k/3.);
+#else
+                        partUfluct_[index][dim] = RanGen_.scalarNormal()*sqrt(2.*k/3.);
+#endif
                         //Pout << "RW-TEST: Ufluid[" << dim << "] = " << Ufluid[dim] << " Ufluct = " << partUfluct_[index][dim] << " k = " << k << endl; // TEST-Output
                         Ufluid[dim] = Ufluid[dim] + partUfluct_[index][dim];
                     }

src/lagrangian/cfdemParticle/subModels/forceModel/isotropicFluctuations/isotropicFluctuations.C

@@ -1,6 +1,6 @@
 /*---------------------------------------------------------------------------*\
     CFDEMcoupling academic - Open Source CFD-DEM coupling
-    
+
     Contributing authors:
     Thomas Lichtenegger
     Copyright (C) 2015- Johannes Kepler University, Linz
@@ -83,7 +83,7 @@ isotropicFluctuations::isotropicFluctuations
         dimensionedScalar("D0", dimensionSet(0,0,0,0,0,0,0), D0_)
     ),
     dtDEM_(particleCloud_.dataExchangeM().DEMts()),
-    ranGen_(osRandomInteger())
+    ranGen_(clock::getTime()+pid())
 {
     if(ignoreCellsName_ != "none")
     {
@@ -122,10 +122,10 @@ void isotropicFluctuations::setForce() const
     vector flucU(0,0,0);
     label cellI=0;
     scalar relVolfractionExcess(0.0);
-   
+
     interpolationCellPoint<scalar> voidfractionInterpolator_(voidfraction_);
     interpolationCellPoint<scalar> voidfractionRecInterpolator_(voidfractionRec_);
-    
+
     for(int index = 0;index <  particleCloud_.numberOfParticles(); ++index)
     {
             cellI = particleCloud_.cellIDs()[index][0];
@@ -151,14 +151,14 @@ void isotropicFluctuations::setForce() const
                         voidfractionRec = voidfractionRec_[cellI];
                     }
                     // write particle based data to global array
-                    
+
                     deltaVoidfrac=voidfractionRec-voidfraction;
                     relVolfractionExcess=deltaVoidfrac/(1-voidfraction+SMALL);
                     if(deltaVoidfrac>0)
                     {
                         D = D0Field_[cellI];
                         flucU=unitFlucDir()*fluctuationMag(relVolfractionExcess,D);
-                    }              
+                    }
 
                     // write particle based data to global array
                     for(int j=0;j<3;j++)
@@ -168,11 +168,11 @@ void isotropicFluctuations::setForce() const
                 }
             }
     }
-    
+
     if (measureDiff_)
     {
         dimensionedScalar diff( fvc::domainIntegrate( sqr( voidfraction_ - voidfractionRec_ ) ) );
-        scalar t = particleCloud_.mesh().time().timeOutputValue(); 
+        scalar t = particleCloud_.mesh().time().timeOutputValue();
         recErrorFile_ << t << "\t" << diff.value() << endl;
     }
 }

src/lagrangian/cfdemParticleComp/Make/options

@@ -6,6 +6,8 @@ sinclude $(RULES)/mplib$(WM_MPLIB)
 
 GIT_VERSION := $(shell git describe --dirty --always --tags)
 PFLAGS+= -DGITVERSION=\"$(GIT_VERSION)\"
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
 PFLAGS+= -Dcompre
 
 

src/recurrence/Make/files

@@ -12,11 +12,10 @@ recNorm/readNorm/readNorm.C
 recNorm/sqrDiffNorm/sqrDiffNorm.C
 recNorm/noRecNorm/noRecNorm.C
 recPath/recPath/recPath.C
-recPath/recPath/newRecPath.C
 recPath/simpleRandomPath/simpleRandomPath.C
+recPath/recPath/newRecPath.C
 recPath/noPath/noPath.C
 recPath/MarkovPath/MarkovPath.C
-recPath/multiIntervalPath/multiIntervalPath.C
 recPath/predefinedPath/predefinedPath.C
 recStatAnalysis/recStatAnalysis/recStatAnalysis.C
 recStatAnalysis/recStatAnalysis/newRecStatAnalysis.C

src/recurrence/Make/options

@@ -1,6 +1,9 @@
 GIT_VERSION := $(shell git describe --abbrev=4 --dirty --always --tags)
 PFLAGS+= -DGITVERSION=\"$(GIT_VERSION)\"
 
+FOAM_VERSION_MAJOR := $(word 1,$(subst ., ,$(WM_PROJECT_VERSION)))
+PFLAGS+= -DOPENFOAM_VERSION_MAJOR=$(FOAM_VERSION_MAJOR)
+
 include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
 EXE_INC = \

src/recurrence/recBase/recBase.C

@@ -83,14 +83,20 @@ recBase::recBase
     ),
     couplingSubStep_(recProperties_.lookupOrDefault<label>("couplingSubStep",0))
 {
-  recModel_        ->  readFieldSeries();
+    recModel_        ->  readFieldSeries();
-  recNorm_         ->  computeRecMatrix();
+    if (!recStatAnalysis_->suppressMatrixAndPath())
-  recPath_         ->  getRecPath();
+    {
+        recNorm_         ->  computeRecMatrix();
+        recPath_         ->  getRecPath();
+    }
 
-  recModel_        ->  init();
+    recModel_        ->  init();
-
+  
-  recModel_        ->  writeRecMatrix();
+    if (!recStatAnalysis_->suppressMatrixAndPath())
-  recModel_        ->  writeRecPath();
+    {
+        recModel_        ->  writeRecMatrix();
+        recModel_        ->  writeRecPath();
+    }
 }
 
 // * * * * * * * * * * * * * * * * Destructors  * * * * * * * * * * * * * * //

src/recurrence/recModel/gerhardsRecModel/gerhardsRecModel.C

@@ -226,7 +226,11 @@ scalar gerhardsRecModel::checkTimeStep()
     }
 
     // set deltaT
+#if OPENFOAM_VERSION_MAJOR < 6
     recTime.setDeltaT(dtCur, false);
+#else
+    recTime.setDeltaT(dtCur);
+#endif
 
     if (verbose_)
     {
@@ -296,7 +300,11 @@ void gerhardsRecModel::readFieldSeries()
                 for OpenFOAM versions prior to OpenFOAM-5.0
                 Do this the other way around for OpenFOAM-5.0 and potentially later versions
             */
+#if OPENFOAM_VERSION_MAJOR < 5
             if (! header.headerOk())
+#else
+            if (! header.typeHeaderOk<volScalarField>(true))
+#endif
             {
                 FatalError
                 << "Field " << volScalarFieldNames_[i] << " not found"
@@ -320,7 +328,11 @@ void gerhardsRecModel::readFieldSeries()
                 for OpenFOAM versions prior to OpenFOAM-5.0
                 Do this the other way around for OpenFOAM-5.0 and potentially later versions
             */
+#if OPENFOAM_VERSION_MAJOR < 5
             if (! header.headerOk())
+#else
+            if (! header.typeHeaderOk<volVectorField>(true))
+#endif
             {
                 FatalError
                 << "Field " << volVectorFieldNames_[i] << " not found"
@@ -344,7 +356,11 @@ void gerhardsRecModel::readFieldSeries()
                 for OpenFOAM versions prior to OpenFOAM-5.0
                 Do this the other way around for OpenFOAM-5.0 and potentially later versions
             */
+#if OPENFOAM_VERSION_MAJOR < 5
             if (! header.headerOk())
+#else
+            if (! header.typeHeaderOk<surfaceScalarField>(true))
+#endif
             {
                 FatalError
                 << "Field " << surfaceScalarFieldNames_[i] << " not found"
@@ -851,6 +867,27 @@ const surfaceScalarField& gerhardsRecModel::exportSurfaceScalarField(word fieldn
 }
 
 
+PtrList<volScalarField>& gerhardsRecModel::exportVolScalarFieldList(word fieldname)
+{
+    const label fieldI = getVolScalarFieldIndex(fieldname);
+
+    return volScalarFieldList_[fieldI];
+}
+
+PtrList<volVectorField>& gerhardsRecModel::exportVolVectorFieldList(word fieldname)
+{
+    const label fieldI = getVolVectorFieldIndex(fieldname);
+
+    return volVectorFieldList_[fieldI];
+}
+
+PtrList<surfaceScalarField>& gerhardsRecModel::exportSurfaceScalarFieldList(word fieldname)
+{
+    const label fieldI = getSurfaceScalarFieldIndex(fieldname);
+
+    return surfaceScalarFieldList_[fieldI];
+}
+
 
 
 SymmetricSquareMatrix<scalar>& gerhardsRecModel::recurrenceMatrix()

src/recurrence/recModel/gerhardsRecModel/gerhardsRecModel.H

@@ -100,9 +100,9 @@ protected:
 
     scalar checkTimeStep();
 
-    inline label getVolScalarFieldIndex(word, label) const;
+    inline label getVolScalarFieldIndex(word, label=0) const;
-    inline label getVolVectorFieldIndex(word, label) const;
+    inline label getVolVectorFieldIndex(word, label=0) const;
-    inline label getSurfaceScalarFieldIndex(word, label) const;
+    inline label getSurfaceScalarFieldIndex(word, label=0) const;
 
     void readFieldSeries();
 
@@ -143,7 +143,11 @@ public:
     const volVectorField& exportVolVectorField(word, label);
     const surfaceScalarField& exportSurfaceScalarField(word, label);
 
-  //  tmp<surfaceScalarField> exportAveragedSurfaceScalarField(word, scalar, label index = -1);
+    PtrList<volScalarField>& exportVolScalarFieldList(word);
+    PtrList<volVectorField>& exportVolVectorFieldList(word);
+    PtrList<surfaceScalarField>& exportSurfaceScalarFieldList(word);
+
+    //  tmp<surfaceScalarField> exportAveragedSurfaceScalarField(word, scalar, label index = -1);
     void exportAveragedVolVectorField(volVectorField&, word, scalar, label index = -1) const;
 
     SymmetricSquareMatrix<scalar>& recurrenceMatrix();

src/recurrence/recPath/MarkovPath/MarkovPath.C

@@ -92,7 +92,7 @@ MarkovPath::MarkovPath
         }
         intervalSizesCumulative_[i] = sum1;
     }
-    
+
     // check if meanIntervalSteps and correlationSteps are reasonable
     label critLength = meanIntervalSteps_ + 2 * correlationSteps_;
     for(int i=0;i<numIntervals_;i++)
@@ -150,7 +150,7 @@ void MarkovPath::computeRecPath()
 
 void MarkovPath::extendPath()
 {
-    Random ranGen(osRandomInteger());
+    Random ranGen(clock::getTime()+pid());
 
     SymmetricSquareMatrix<scalar>& recurrenceMatrix( base_.recM().recurrenceMatrix() );
 

src/recurrence/recPath/multiIntervalPath/multiIntervalPath.C

@@ -1,194 +0,0 @@
-/*---------------------------------------------------------------------------*\
-    CFDEMcoupling academic - Open Source CFD-DEM coupling
-
-    Contributing authors:
-    Thomas Lichtenegger
-    Copyright (C) 2015- Johannes Kepler University, Linz
--------------------------------------------------------------------------------
-License
-    This file is part of CFDEMcoupling academic.
-
-    CFDEMcoupling academic is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    CFDEMcoupling academic is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with CFDEMcoupling academic.  If not, see <http://www.gnu.org/licenses/>.
-\*---------------------------------------------------------------------------*/
-
-#include "error.H"
-#include "multiIntervalPath.H"
-#include "Random.H"
-#include "recModel.H"
-#include "addToRunTimeSelectionTable.H"
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-// * * * * * * * * * * * * * * Static Data Members * * * * * * * * * * * * * //
-
-defineTypeNameAndDebug(multiIntervalPath, 0);
-
-addToRunTimeSelectionTable
-(
-    recPath,
-    multiIntervalPath,
-    dictionary
-);
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-// Construct from components
-multiIntervalPath::multiIntervalPath
-(
-    const dictionary& dict,
-    recBase& base
-)
-:
-    recPath(dict, base),
-    propsDict_(dict.subDict(typeName + "Props")),
-    meanIntervalSteps_(propsDict_.lookupOrDefault<label>("meanIntervalSteps",-1)),
-    numIntervals_(base.recM().numIntervals()),
-    intervalSizes_(numIntervals_),
-    intervalSizesCumulative_(numIntervals_),
-    Pjump_(0.0),
-    intervalWeights_(propsDict_.lookupOrDefault<scalarList>("intervalWeights",scalarList(numIntervals_,1.0))),
-    intervalWeightsCumulative_(intervalWeights_)
-{
-    if(meanIntervalSteps_<0)
-    {
-        // if no mean interval length for consecutive steps is specified, use 1/5 from first interval
-        meanIntervalSteps_ = static_cast<label>(0.2 * intervalSizes_[0]);
-    }
-
-    // normalize weights
-    scalar wsum = 0.0;
-    for(int i=0;i<numIntervals_;i++)
-    {
-        intervalSizes_[i] = base.recM().numRecFields(i);
-        wsum += intervalWeights_[i];
-    }
-
-    for(int i=0;i<numIntervals_;i++)
-    {
-        intervalWeights_[i] /= wsum;
-    }
-
-    for(int i=0;i<numIntervals_;i++)
-    {
-        scalar sum1 = 0.0;
-        scalar sum2 = 0.0;
-        for(int j=0;j<=i;j++)
-        {
-            sum1 += intervalWeights_[j];
-            sum2 += intervalSizes_[j];
-        }
-        intervalWeightsCumulative_[i] = sum1;
-        intervalSizesCumulative_[i] = sum2;
-    }
-
-    // given a jump probability of P, the probability of finding a chain of length N is
-    // P(N) = (1 - P)^N * P, and the mean length E(N) = (1 - P) / P
-    Pjump_ = 1.0 / (1 + meanIntervalSteps_);
-}
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-multiIntervalPath::~multiIntervalPath()
-{}
-
-// * * * * * * * * * * * * * protected Member Functions  * * * * * * * * * * * * //
-
-void multiIntervalPath::computeRecPath()
-{
-    Info << "\nComputing recurrence path\n" << endl;
-
-
-    Random ranGen(osRandomInteger());
-
-    label virtualTimeIndex=0;
-    label recSteps=0;
-    label seqStart=0;
-    bool prevStepWasJump = true;
-
-    SymmetricSquareMatrix<scalar>& recurrenceMatrix( base_.recM().recurrenceMatrix() );
-
-
-    if(base_.recM().totRecSteps() == 1)
-    {
-        Info << "\nPrimitive recurrence path with one element.\n" << endl;
-        return;
-    }
-
-    while(recSteps <= base_.recM().totRecSteps() )
-    {
-        scalar randJump = ranGen.scalar01();
-
-        // check if current virtualTimeIndex is close to separation time
-        bool intervalBorder = false;
-        label sep = 0;
-        for(int i = 0;i < numIntervals_; i++)
-        {
-            sep += intervalSizes_[i];
-            if (sep - 1 == virtualTimeIndex) intervalBorder=true;
-        }
-
-        if ((randJump > Pjump_ && !intervalBorder) || prevStepWasJump)
-        {
-            virtualTimeIndex++;
-            prevStepWasJump = false;
-        }
-        else
-        {
-            // before jump, complete former consecutive interval
-            labelPair seqStartEnd(seqStart,virtualTimeIndex);
-            virtualTimeIndexList_.append(seqStartEnd);
-            recSteps += virtualTimeIndex - seqStart + 1;
-
-            // now jump
-
-            // identify interval to jump to
-            scalar randInterval = ranGen.scalar01();
-
-            label interval = numIntervals_-1;
-            for(int i = numIntervals_-2 ;i >= 0; i--)
-            {
-                if (randInterval < intervalWeightsCumulative_[i]) interval=i;
-            }
-
-            label startLoop = 0;
-            if (interval > 0) startLoop = intervalSizesCumulative_[interval-1];
-            label endLoop = intervalSizesCumulative_[interval] - meanIntervalSteps_;
-
-            scalar nextMinimum(GREAT);
-            for (label j = startLoop; j <= endLoop; j++)
-            {
-                if(abs(j - virtualTimeIndex) < meanIntervalSteps_) continue;
-                if (recurrenceMatrix[j][virtualTimeIndex] < nextMinimum)
-                {
-                        nextMinimum = recurrenceMatrix[j][virtualTimeIndex];
-                        seqStart = j+1;
-                }
-            }
-            virtualTimeIndex = seqStart;
-            prevStepWasJump = true;
-        }
-    }
-    Info << "\nComputing recurrence path done\n" << endl;
-}
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// ************************************************************************* //

src/recurrence/recPath/multiIntervalPath/multiIntervalPath.H

@@ -1,103 +0,0 @@
-/*---------------------------------------------------------------------------*\
-    CFDEMcoupling academic - Open Source CFD-DEM coupling
-
-    Contributing authors:
-    Thomas Lichtenegger
-    Copyright (C) 2015- Johannes Kepler University, Linz
--------------------------------------------------------------------------------
-License
-    This file is part of CFDEMcoupling academic.
-
-    CFDEMcoupling academic is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    CFDEMcoupling academic is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with CFDEMcoupling academic.  If not, see <http://www.gnu.org/licenses/>.
-
-Description
-    A recurrence database consisting of N separate intervals is assumed with separation
-    times t0 (start time), t1, ... tN (end time) and weights w0, ... wN-1.
-\*---------------------------------------------------------------------------*/
-
-#ifndef multiIntervalPath_H
-#define multiIntervalPath_H
-
-#include "recPath.H"
-#include "scalarList.H"
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                           Class multiIntervalPath Declaration
-\*---------------------------------------------------------------------------*/
-
-class multiIntervalPath
-:
-    public recPath
-{
-protected:
-
-    // Protected data
-
-    dictionary propsDict_;
-
-    void computeRecPath();
-
-    label meanIntervalSteps_;
-
-    label numIntervals_;
-
-    labelList intervalSizes_;
-
-    labelList intervalSizesCumulative_;
-
-    scalar Pjump_;
-
-    scalarList intervalWeights_;
-
-    scalarList intervalWeightsCumulative_;
-
-
-public:
-
-    //- Runtime type information
-    TypeName("multiIntervalPath");
-
-    // Constructors
-
-        //- Construct from components
-        multiIntervalPath
-        (
-            const dictionary& dict,
-            recBase& base
-        );
-
-
-    // Destructor
-
-        virtual ~multiIntervalPath();
-
-
-    // Member Functions
-
-
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/recurrence/recPath/simpleRandomPath/simpleRandomPath.C

@@ -69,15 +69,18 @@ void simpleRandomPath::computeRecPath()
 {
     Info << "\nComputing recurrence path\n" << endl;
 
-
+    Random ranGen(clock::getTime()+pid());
-    Random ranGen(osRandomInteger());
 
     label virtualTimeIndex = 0;
     label recSteps = 0;
     label seqStart = 0;
     label lowerSeqLim( base_.recM().lowerSeqLim() );
     label upperSeqLim( base_.recM().upperSeqLim() );
+#if OPENFOAM_VERSION_MAJOR < 6
     label seqLength = ranGen.integer(lowerSeqLim, upperSeqLim);
+#else
+    label seqLength = ranGen.sampleAB(lowerSeqLim, upperSeqLim);
+#endif
 
     virtualTimeIndex = seqEnd(seqStart,seqLength);
     labelPair seqStartEnd(seqStart,virtualTimeIndex);
@@ -123,7 +126,11 @@ void simpleRandomPath::computeRecPath()
             }
         }
 
+#if OPENFOAM_VERSION_MAJOR < 6
         seqLength = ranGen.integer(lowerSeqLim, upperSeqLim);
+#else
+        seqLength = ranGen.sampleAB(lowerSeqLim, upperSeqLim);
+#endif
         virtualTimeIndex = seqEnd(seqStart,seqLength);
         labelPair seqStartEnd(seqStart,virtualTimeIndex);
         virtualTimeIndexList_.append(seqStartEnd);

src/recurrence/recStatAnalysis/autocorrelation/autocorrelation.C

@@ -73,7 +73,8 @@ autocorrelation::autocorrelation
         ),
         base.mesh(),
         dimensionedScalar("zero", dimensionSet(0,0,0,0,0), 0.0)
-    )
+    ),
+    suppressMatrixAndPath_(propsDict_.lookupOrDefault<bool>("suppressMatrixAndPath",false))
 {
     if (fieldtype_ != "scalar" && fieldtype_ != "vector")
     {
@@ -108,31 +109,23 @@ void autocorrelation::statistics()
 
 void autocorrelation::autocorr()
 {
-    scalar res = 0.0;
+    if (fieldtype_ == "scalar") scalarFieldList_.transfer(base_.recM().exportVolScalarFieldList(fieldname_));
-    PtrList<volScalarField> scalarFieldList;
+    else vectorFieldList_.transfer(base_.recM().exportVolVectorFieldList(fieldname_));
-    PtrList<volVectorField> vectorFieldList;
-    if (fieldtype_ == "scalar") scalarFieldList.transfer(base_.recM().exportVolScalarFieldList(fieldname_));
-    else vectorFieldList.transfer(base_.recM().exportVolVectorFieldList(fieldname_));
 
     label tmax = base_.recM().totRecSteps();
     for (label ti = delaySteps_; ti < tmax; ti++)
     {
         forAll(autoCorrField_, cellI)
         {
-            if (fieldtype_ == "scalar") 
+            autoCorrField_[cellI] += autocorrSummand(ti-delaySteps_,ti,refCell_,cellI);
-            {
-                res = scalarFieldList[ti-delaySteps_][refCell_] * scalarFieldList[ti][cellI];
-            }
-            else
-            {
-                res = vectorFieldList[ti-delaySteps_][refCell_] & vectorFieldList[ti][cellI];
-            }
-            autoCorrField_[cellI] += res;
         }
     }
 
     autoCorrField_ /= (tmax - delaySteps_);
 
+    autoCorrField_ -= meanProd();
+
+
     if (normalize_)
     {
         volScalarField meanProd(autoCorrField_);
@@ -159,17 +152,55 @@ void autocorrelation::autocorr()
         dimensionSet fieldDim(0,0,0,0,0);
         if (fieldtype_ == "scalar")
         {
-            fieldDim.reset(scalarFieldList[0].dimensions());
+            fieldDim.reset(scalarFieldList_[0].dimensions());
         }
         else
         {
-            fieldDim.reset(vectorFieldList[0].dimensions());
+            fieldDim.reset(vectorFieldList_[0].dimensions());
         }
 
-        fieldDim = fieldDim * fieldDim;
+        fieldDim.reset(fieldDim * fieldDim);
 
         autoCorrField_.dimensions().reset(fieldDim);
     }
+
+    autoCorrField_.write();
+}
+
+scalar autocorrelation::autocorrSummand(label t1, label t2, label c1, label c2)
+{
+    scalar res;
+    if (fieldtype_ == "scalar") 
+    {
+        res = scalarFieldList_[t1][c1] * scalarFieldList_[t2][c2];
+    }
+    else
+    {
+        res = vectorFieldList_[t1][c1] & vectorFieldList_[t2][c2];
+    }
+    return res;
+}
+
+volScalarField autocorrelation::meanProd()
+{
+    volScalarField meanProd(autoCorrField_);
+    if (fieldtype_ == "scalar")
+    {
+        volScalarField aveField = base_.recM().exportVolScalarFieldAve(fieldname_);
+        forAll(meanProd, cellI)
+        {
+            meanProd[cellI] = aveField()[cellI] * aveField()[refCell_];
+        }
+    }
+    else
+    {
+        volVectorField aveField = base_.recM().exportVolVectorFieldAve(fieldname_);
+        forAll(meanProd, cellI)
+        {
+            meanProd[cellI] = aveField()[cellI] & aveField()[refCell_];
+        }
+    }
+    return meanProd;
 }
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

src/recurrence/recStatAnalysis/autocorrelation/autocorrelation.H

@@ -85,9 +85,21 @@ private:
 
     bool normalize_;
 
+    PtrList<volScalarField> scalarFieldList_;
+
+    PtrList<volVectorField> vectorFieldList_;
+
     volScalarField autoCorrField_;
 
+    bool suppressMatrixAndPath_;
+
     void autocorr();
+
+    scalar autocorrSummand(label, label, label, label);
+
+    volScalarField meanProd();
+
+    bool suppressMatrixAndPath() {return suppressMatrixAndPath_;}
 };
 
 

src/recurrence/recStatAnalysis/recStatAnalysis/recStatAnalysis.H

@@ -102,6 +102,8 @@ public:
 
     virtual void statistics() = 0;
 
+    virtual bool suppressMatrixAndPath() {return false;}
+
 
 };
 

tutorials/cfdemSolverMultiphase/damBreak/CFD/system/fvSolution

@@ -23,7 +23,7 @@ solvers
         cAlpha          1;
     }
 
-    pcorr
+    "pcorr.*"
     {
         solver          PCG;
         preconditioner

tutorials/cfdemSolverMultiphase/particlesWaterEntry/CFD/system/fvSolution

@@ -23,7 +23,7 @@ solvers
         cAlpha          1;
     }
 
-    pcorr
+    "pcorr.*"
     {
         solver          PCG;
         preconditioner

tutorials/cfdemSolverMultiphase/tankDrainage/CFD/system/fvSolution

@@ -23,7 +23,7 @@ solvers
         cAlpha          1;
     }
 
-    pcorr
+    "pcorr.*"
     {
         solver          PCG;
         preconditioner

tutorials/cfdemSolverMultiphase/tankDrainage/CFD/system/patchAverage

@@ -14,6 +14,9 @@ name    outlet;
 fields  (alpha.air alpha.water alpha.oil);
 
 operation average;
-#includeEtc "caseDicts/postProcessing/surfaceRegion/patch.cfg"
+// OF4
+//#includeEtc "caseDicts/postProcessing/surfaceRegion/patch.cfg"
+// OF5,OF6
+#includeEtc "caseDicts/postProcessing/surfaceFieldValue/patch.cfg"
 
 // ************************************************************************* //

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/0/U

@@ -28,12 +28,14 @@ boundaryField
         type            slip;
     }
 
-    inlet
+   inlet
     {
-        type               interstitialInletVelocity;
+        type            uniformFixedValue;
-        inletVelocity      uniform (0 0 0.1);
+        uniformValue     table
-        alpha              voidfraction;
+        (
-        value              $internalField;
+            (0.000 (0 0 0.002))
+            (2.000 (0 0 1.5))
+        );
     }
 
     outlet

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/0/p

@@ -28,10 +28,8 @@ boundaryField
 
     inlet
     {
-       // type            zeroGradient;
+  //      type            zeroGradient;
-      //  type               fixedFluxPressure;
+          type fixedFluxExtrapolatedPressure;
-      //  value              $internalField;
-          type        fixedFluxExtrapolatedPressure;
     }
     outlet
     {

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/0/rho

@@ -16,7 +16,7 @@ FoamFile
 
 dimensions      [1 -3 0 0 0 0 0];
 
-internalField   uniform 1;
+internalField   uniform 1.18;
 
 boundaryField
 {

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/0/voidfraction

@@ -32,9 +32,8 @@ boundaryField
     }
     inlet
     {
-        //type            fixedValue;
+        type            fixedValue;
-        //value           uniform 1;
+        value           uniform 1;
-        type            zeroGradient;
     }
 }
 

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/constant/polyMesh/boundary

@@ -1,41 +0,0 @@
-/*--------------------------------*- C++ -*----------------------------------*\
-| =========                 |                                                 |
-| \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox           |
-|  \\    /   O peration     | Version:  4.x                                   |
-|   \\  /    A nd           | Web:      www.OpenFOAM.org                      |
-|    \\/     M anipulation  |                                                 |
-\*---------------------------------------------------------------------------*/
-FoamFile
-{
-    version     2.0;
-    format      ascii;
-    class       polyBoundaryMesh;
-    location    "constant/polyMesh";
-    object      boundary;
-}
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-3
-(
-    inlet
-    {
-        type            patch;
-        nFaces          192;
-        startFace       13248;
-    }
-    outlet
-    {
-        type            patch;
-        nFaces          192;
-        startFace       13440;
-    }
-    wall
-    {
-        type            wall;
-        inGroups        1(wall);
-        nFaces          768;
-        startFace       13632;
-    }
-)
-
-// ************************************************************************* //

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/CFD/system/controlDict

@@ -23,7 +23,7 @@ startTime       0;
 
 stopAt          endTime;
 
-endTime         0.5;
+endTime         2.0;
 
 deltaT          0.00025;
 

tutorials/cfdemSolverRhoPimple/ErgunTestMPI/parCFDDEMrun.sh

@@ -1,6 +1,91 @@
 #!/bin/bash
 
-cd CFD
+#===================================================================#
-blockMesh
+# allrun script for testcase as part of test routine
-decomposePar -force
+# run Ergun test CFD part
-mpirun -np 4 cfdemSolverRhoPimple -parallel
+#===================================================================#
+
+#- source CFDEM env vars
+. ~/.bashrc
+
+#- include functions
+source $CFDEM_PROJECT_DIR/etc/functions.sh
+
+#--------------------------------------------------------------------------------#
+#- define variables
+casePath="$(dirname "$(readlink -f ${BASH_SOURCE[0]})")"
+logpath=$casePath
+headerText="run_parallel_cfdemSolverRhoPimple_ErgunTestMPI_CFDDEM"
+logfileName="log_$headerText"
+solverName="cfdemSolverRhoPimple"
+nrProcs="4"
+machineFileName="none"   # yourMachinefileName | none
+debugMode="off"          # on | off| strict
+testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
+runOctave="true"
+postproc="false"
+#--------------------------------------------------------------------------------#
+
+#- call function to run a parallel CFD-DEM case
+parCFDDEMrun $logpath $logfileName $casePath $headerText $solverName $nrProcs $machineFileName $debugMode
+
+
+if [ $runOctave == "true" ]
+    then
+        #------------------------------#
+        #  octave
+
+        #- change path
+        cd octave
+
+        #- rmove old graph
+        rm cfdemSolverRhoPimple_ErgunTestMPI.eps
+
+        #- run octave
+        octave totalPressureDrop.m
+
+        #- show plot
+        evince cfdemSolverRhoPimple_ErgunTestMPI.eps
+
+        #- copy log file to test harness
+        cp ../../$logfileName $testHarnessPath
+        cp cfdemSolverRhoPimple_ErgunTestMPI.eps $testHarnessPath
+fi
+
+if [ $postproc == "true" ]
+  then
+
+    #- keep terminal open (if started in new terminal)
+    echo "simulation finisehd? ...press enter to proceed"
+    read
+
+    #- get VTK data from liggghts dump file
+    cd $casePath/DEM/post
+    python -i $CFDEM_LPP_DIR/lpp.py dump*.liggghts_run
+
+    #- get VTK data from CFD sim
+    cd $casePath/CFD
+    foamToVTK                                                   #- serial run of foamToVTK
+
+    #- start paraview
+    paraview
+
+    #- keep terminal open (if started in new terminal)
+    echo "...press enter to clean up case"
+    echo "press Ctr+C to keep data"
+    read
+
+fi
+
+#- clean up case
+echo "deleting data at: $casePath :\n"
+source $WM_PROJECT_DIR/bin/tools/CleanFunctions
+cd $casePath/CFD
+#cleanCase
+rm -r $casePath/CFD/clockData
+rm $casePath/DEM/post/*.*
+touch $casePath/DEM/post/.gitignore
+rm $casePath/DEM/post/restart/*.*
+rm $casePath/DEM/post/restart/liggghts.restartCFDEM*
+touch $casePath/DEM/post/restart/.gitignore
+echo "done"

tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/constant/combustionProperties

@@ -15,11 +15,14 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+// OF5 -> OF6: noCombustion<> -> none (template parameters are no longer required)
+//combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+combustionModel  none; // OF6
 
 active  false; //true;
 
-noCombustionCoeffs
+//noCombustionCoeffs
+noneCoeffs
 {
 }
 

tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict

@@ -145,7 +145,8 @@ functions
 
     globalMassFrac
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;
@@ -167,7 +168,8 @@ functions
 
     globalMass
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl   timeStep;//outputTime;
         writeInterval   1;
@@ -185,7 +187,8 @@ functions
 
     inflow_GasSpecies
     {
-        type            surfaceRegion;
+        //type            surfaceRegion; // OF4
+        type            surfaceFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;
         writeInterval   100;
@@ -208,7 +211,8 @@ functions
 
     inflow_phi
     {
-        type            surfaceRegion;
+        //type            surfaceRegion; // OF4
+        type            surfaceFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl   timeStep;
         writeInterval   100;
@@ -227,7 +231,8 @@ functions
 
     inflow_U
     {
-        type            surfaceRegion;
+        //type            surfaceRegion; // OF4
+        type            surfaceFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;
         writeInterval   100;

tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/controlDict_test

@@ -145,7 +145,8 @@ functions
 
     globalMassFrac
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;
@@ -167,7 +168,8 @@ functions
 
     globalMass
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl   timeStep;//outputTime;
         writeInterval   1;
@@ -185,7 +187,8 @@ functions
 
     inflow_GasSpecies
     {
-        type            surfaceRegion;
+        //type            surfaceRegion; // OF4
+        type            surfaceFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;
         writeInterval   100;
@@ -208,7 +211,8 @@ functions
 
     inflow_phi
     {
-        type            surfaceRegion;
+        //type            surfaceRegion; // OF4
+        type            surfaceFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl   timeStep;
         writeInterval   100;
@@ -227,7 +231,8 @@ functions
 
     inflow_U
     {
-        type            surfaceRegion;
+        //type            surfaceRegion; // OF4
+        type            surfaceFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;
         writeInterval   100;

tutorials/cfdemSolverRhoPimpleChem/PolydisperseFluidizedBed/R2_FB/CFD/system/fvOptions

@@ -22,7 +22,10 @@ limitedTemperature
     {
         active          yes;
         selectionMode   all;
-        Tmin     1020;
+        Tmin     1020; // OF4
-        Tmax     1500;
+        Tmax     1500; // OF4
+        min      $Tmin; // OF5,OF6
+        max      $Tmax; // OF5,OF6
     }
-} 
+}
+

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/constant/combustionProperties

@@ -15,11 +15,14 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-combustionModel  noCombustion<rhoThermoCombustion>;
+// OF5 -> OF6: noCombustion<> -> none (template parameters are no longer required)
+//combustionModel  noCombustion<rhoThermoCombustion>; // OF4,OF5
+combustionModel  none; // OF6
 
 active  false; //true;
 
-noCombustionCoeffs
+//noCombustionCoeffs
+noneCoeffs
 {
 }
 

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/controlDict

@@ -143,7 +143,8 @@ functions
 
     globalMassFrac
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;
@@ -165,7 +166,8 @@ functions
 
     globalMass
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl   timeStep;//outputTime;
         writeInterval   1;

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/30CO6H2_Hematite/CFD/system/fvOptions

@@ -22,8 +22,10 @@ limitedTemperature
     {
         active          yes;
         selectionMode   all;
-        Tmin     1200;
+        Tmin     1200; // OF4
-        Tmax     2500;
+        Tmax     2500; // OF4
+        min      $Tmin; // OF5,OF6
+        max      $Tmax; // OF5,OF6
     }
 }
 

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/constant/combustionProperties

@@ -15,11 +15,14 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+// OF5 -> OF6: noCombustion<> -> none (template parameters are no longer required)
+//combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+combustionModel  none; // OF6
 
 active  false; //true;
 
-noCombustionCoeffs
+//noCombustionCoeffs
+noneCoeffs
 {
 }
 

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/controlDict

@@ -142,7 +142,8 @@ functions
 
     globalMassFrac
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;
@@ -164,7 +165,8 @@ functions
 
     globalMass
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/33CO3H2_Hematite/CFD/system/fvOptions

@@ -22,8 +22,10 @@ limitedTemperature
     {
         active          yes;
         selectionMode   all;
-        Tmin     1200;
+        Tmin     1200; // OF4
-        Tmax     2500;
+        Tmax     2500; // OF4
+        min      $Tmin; // OF5,OF6
+        max      $Tmax; // OF5,OF6
     }
 }
 

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/constant/combustionProperties

@@ -15,11 +15,14 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+// OF5 -> OF6: noCombustion<> -> none (template parameters are no longer required)
+//combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+combustionModel  none; // OF6
 
 active  false; //true;
 
-noCombustionCoeffs
+//noCombustionCoeffs
+noneCoeffs
 {
 }
 

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/controlDict

@@ -136,7 +136,8 @@ functions
 
     globalMassFrac
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;
@@ -156,7 +157,8 @@ functions
 
     globalMass
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/GOD0k1_Hematite/CFD/system/fvOptions

@@ -22,9 +22,10 @@ limitedTemperature
     {
         active          yes;
         selectionMode   all;
-        Tmin     1200;
+        Tmin     1200; // OF4
-        Tmax     2500;
+        Tmax     2500; // OF4
+        min      $Tmin; // OF5,OF6
+        max      $Tmax; // OF5,OF6
     }
 }
 
-

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/constant/combustionProperties

@@ -15,11 +15,14 @@ FoamFile
 }
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+// OF5 -> OF6: noCombustion<> -> none (template parameters are no longer required)
+//combustionModel   noCombustion<rhoThermoCombustion>; //PaSR<rhoChemistryCombustion>;  //PaSR<psiChemistryCombustion>;
+combustionModel  none; // OF6
 
 active  false; //true;
 
-noCombustionCoeffs
+//noCombustionCoeffs
+noneCoeffs
 {
 }
 

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/controlDict

@@ -136,7 +136,8 @@ functions
 
     globalMassFrac
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs            ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;
@@ -156,7 +157,8 @@ functions
 
     globalMass
     {
-        type            volRegion;
+        //type            volRegion; // OF4
+        type            volFieldValue; // OF5,OF6
         libs            ("libfieldFunctionObjects.so");
         writeControl    timeStep;//outputTime;
         writeInterval   1;

tutorials/cfdemSolverRhoPimpleChem/SingleParticleCases/ISO4695/CFD/system/fvOptions

@@ -22,8 +22,10 @@ limitedTemperature
     {
         active          yes;
         selectionMode   all;
-        Tmin     1200;
+        Tmin     1200; // OF4
-        Tmax     2500;
+        Tmax     2500; // OF4
+        min      $Tmin; // OF5,OF6
+        max      $Tmax; // OF5,OF6
     }
 }