merge with CFDEMcoupling-PUBLIC 2.9.0

applications/solvers/cfdemSolverIB/Make/options

@@ -1,3 +1,5 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
     -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
     -I$(LIB_SRC)/transportModels \
@@ -20,5 +22,7 @@ EXE_LIBS = \
     -ldynamicFvMesh \
     -ldynamicMesh \
     -lfvOptions \
-    -l$(CFDEM_LIB_NAME)
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)
 

applications/solvers/cfdemSolverPiso/Make/options

@@ -1,3 +1,5 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
     -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
     -I$(LIB_SRC)/transportModels \
@@ -12,4 +14,6 @@ EXE_LIBS = \
     -lincompressibleLESModels \
     -lincompressibleTransportModels \
     -lfiniteVolume \
-    -l$(CFDEM_LIB_NAME)
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/solvers/cfdemSolverPisoScalar/Make/options

@@ -1,3 +1,5 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
     -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
     -I$(LIB_SRC)/transportModels \
@@ -12,4 +14,6 @@ EXE_LIBS = \
     -lincompressibleLESModels \
     -lincompressibleTransportModels \
     -lfiniteVolume \
-    -l$(CFDEM_LIB_NAME)
+    -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)

applications/utilities/cfdemPostproc/Make/options

@@ -1,3 +1,5 @@
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
+
 EXE_INC = \
     -I$(LIB_SRC)/turbulenceModels/incompressible/turbulenceModel \
     -I$(LIB_SRC)/transportModels \
@@ -14,4 +16,6 @@ EXE_LIBS = \
     -lincompressibleTransportModels \
     -lfiniteVolume \
     -l$(CFDEM_LIB_NAME) \
+     $(CFDEM_ADD_LIB_PATHS) \
+     $(CFDEM_ADD_LIBS)
 

applications/utilities/cfdemPostproc/cfdemPostproc.C

@@ -98,7 +98,7 @@ int main(int argc, char *argv[])
         particleCloud.averagingM().resetWeightFields();
         particleCloud.momCoupleM(0).resetMomSourceField();
 
-        particleCloud.dataExchangeM().couple();
+        particleCloud.dataExchangeM().couple(0);
 
         particleCloud.dataExchangeM().getData("x","vector-atom",positions_,count);
         particleCloud.dataExchangeM().getData("v","vector-atom",velocities_,count);

applications/utilities/cfdemPostproc/createFields.H

@@ -26,7 +26,7 @@
             IOobject::NO_WRITE
         ),
         mesh,
-        dimensionedVector("0", dimensionSet(0, 1, -1, 0, 0), vector::zero)
+        dimensionedVector("0", dimensionSet(0, 1, -1, 0, 0), Foam::vector::zero)
     );
 
 //========================
@@ -62,7 +62,7 @@
             IOobject::AUTO_WRITE
         ),
         mesh,
-        dimensionedVector("0", dimensionSet(0, 1, -1, 0, 0), vector::zero)
+        dimensionedVector("0", dimensionSet(0, 1, -1, 0, 0), Foam::vector::zero)
     );
 
 //========================

src/lagrangian/cfdemParticle/Make/options

@@ -4,6 +4,7 @@ sinclude $(RULES)/mplib$(WM_MPLIB)
 GIT_VERSION := $(shell git describe --abbrev=4 --dirty --always --tags)
 PFLAGS+= -DGITVERSION=\"$(GIT_VERSION)\"
 
+include $(CFDEM_ADD_LIBS_DIR)/additionalLibs
 
 EXE_INC = \
      $(PFLAGS) \

src/lagrangian/cfdemParticle/cfdTools/compressibleContinuityErrsPU.H

@@ -0,0 +1,53 @@
+/*---------------------------------------------------------------------------*\
+    CFDEMcoupling - Open Source CFD-DEM coupling
+
+    CFDEMcoupling is part of the CFDEMproject
+    www.cfdem.com
+                                Christoph Goniva, christoph.goniva@cfdem.com
+                                Copyright (C) 1991-2009 OpenCFD Ltd.
+                                Copyright (C) 2009-2012 JKU, Linz
+                                Copyright (C) 2012-     DCS Computing GmbH,Linz
+-------------------------------------------------------------------------------
+License
+    This file is part of CFDEMcoupling.
+
+    CFDEMcoupling 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 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.  If not, see <http://www.gnu.org/licenses/>.
+
+Global
+    continuityErrs
+
+Description
+    Calculates and prints the continuity errors.
+    The code is an evolution of compressibleContinuityErrs.H in OpenFOAM(R) 2.3.x,
+    where additional functionality for CFD-DEM coupling is added.
+\*---------------------------------------------------------------------------*/
+
+{
+    dimensionedScalar totalMass = fvc::domainIntegrate(rho*voidfraction);
+
+    scalar sumLocalContErr =
+        (fvc::domainIntegrate(mag(rho - thermo.rho())*voidfraction)/totalMass).value();
+
+    scalar globalContErr =
+        (fvc::domainIntegrate((rho - thermo.rho())*voidfraction)/totalMass).value();
+
+    cumulativeContErr += globalContErr;
+
+    Info<< "time step continuity errors : sum local = " << sumLocalContErr
+        << ", global = " << globalContErr
+        << ", cumulative = " << cumulativeContErr
+        << endl;
+}
+
+// ************************************************************************* //

src/lagrangian/cfdemParticle/cfdTools/versionInfo.H

@@ -33,8 +33,8 @@ Description
 #ifndef versionInfo_H
 #define versionInfo_H
 
-word CFDEMversion="cfdem-2.8.2";
+word CFDEMversion="cfdem-2.9.0PFM";
-word compatibleLIGGGHTSversion="3.0.6";
+word compatibleLIGGGHTSversion="3.0.6PFM";
 word OFversion="2.3.x-commit-4d6f4a3115ff76ec4154c580eb041bc95ba4ec09";
 
 Info << "\nCFDEMcoupling version: " << CFDEMversion <<  endl;

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.C

@@ -93,6 +93,7 @@ Foam::cfdemCloud::cfdemCloud
     particleVolumes_(NULL),
     particleV_(NULL),
     numberOfParticles_(0),
+    d32_(-1),
     numberOfParticlesChanged_(false),
     arraysReallocated_(false),
     forceModels_(couplingProperties_.lookup("forceModels")),
@@ -456,12 +457,12 @@ label Foam::cfdemCloud::liggghtsCommandModelIndex(word name)
     return index;
 }
 
-std::vector<double*>* Foam::cfdemCloud::getVprobe()
+std::vector< std::vector<double*> >* Foam::cfdemCloud::getVprobe()
 {
  return probeModel_->getVprobe();
 }
 
-std::vector<double>* Foam::cfdemCloud::getSprobe()
+std::vector< std::vector<double> >* Foam::cfdemCloud::getSprobe()
 {
  return probeModel_->getSprobe();
 }
@@ -480,13 +481,13 @@ bool Foam::cfdemCloud::evolve
     numberOfParticlesChanged_ = false;
     arraysReallocated_=false;
     bool doCouple=false;
-    probeModel_->clearProbes();
 
     if(!ignore())
     {
-        if (dataExchangeM().couple())
+        if (dataExchangeM().doCoupleNow())
         {
             Info << "\n Coupling..." << endl;
+            dataExchangeM().couple(0);
             doCouple=true;
 
             // reset vol Fields
@@ -591,6 +592,8 @@ bool Foam::cfdemCloud::evolve
             clockM().start(23,"giveDEMdata");
             giveDEMdata();
             clockM().stop("giveDEMdata");
+
+            dataExchangeM().couple(1);
         }//end dataExchangeM().couple()
 
 

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.H

@@ -127,6 +127,8 @@ protected:
 
     int numberOfParticles_;
 
+    scalar d32_;
+
     bool numberOfParticlesChanged_;
 
     mutable bool arraysReallocated_;
@@ -305,6 +307,7 @@ public:
 
        virtual inline double d(int);
 
+       inline scalar d32(bool recalc=true);
        virtual inline double dMin() {return -1;}
        virtual inline double dMax() {return -1;}
        virtual inline int minType() {return -1;}
@@ -399,9 +402,9 @@ public:
 
         void resetArray(double**&,int,int,double resetVal=0.);
 
-        std::vector<double*>* getVprobe();
+        std::vector< std::vector<double*> >* getVprobe();
 
-        std::vector<double>* getSprobe();
+        std::vector< std::vector<double> >* getSprobe();
 };
 
 

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloudI.H

@@ -197,6 +197,25 @@ inline double cfdemCloud::d(int index)
     return 2*radii_[index][0];
 }
 
+inline double cfdemCloud::d32(bool recalc)
+{
+    if(d32_<0 || recalc)
+    {
+        scalar Ntot(0);
+        scalar Dtot(0);
+        scalar r(0);
+        for(int index = 0;index <  numberOfParticles(); ++index)
+        {
+            r=radii_[index][0];
+            Ntot+=2*r*r*r;
+            Dtot+=r*r;
+        }
+        d32_=Ntot/Dtot;
+    }
+
+    return d32_;
+}
+
 inline int cfdemCloud::numberOfParticles() const
 {
     return numberOfParticles_;

src/lagrangian/cfdemParticle/derived/cfdemCloudIB/cfdemCloudIB.C

@@ -101,9 +101,10 @@ bool Foam::cfdemCloudIB::evolve()
     arraysReallocated_=false;
     bool doCouple=false;
 
-    if (dataExchangeM().couple())
+    if (dataExchangeM().doCoupleNow())
     {
         Info << "\n timeStepFraction() = " << dataExchangeM().timeStepFraction() << endl;
+        dataExchangeM().couple(0);
         doCouple=true;
 
 //        Info << "skipLagrangeToEulerMapping_: " << skipLagrangeToEulerMapping_
@@ -141,6 +142,8 @@ bool Foam::cfdemCloudIB::evolve()
         if(verbose_) Info << " -giveDEMdata()" << endl;
         giveDEMdata();
 
+        dataExchangeM().couple(1);
+
         haveEvolvedOnce_=true;
     }
     Info << "evolve done." << endl;
@@ -197,10 +200,10 @@ void Foam::cfdemCloudIB::calcVelocityCorrection
     (
         fvm::laplacian(phiIB) == fvc::div(U) + fvc::ddt(voidfraction)
     );
-     if(phiIB.needReference()) 
+    if(phiIB.needReference())
-     {
+    {
-         phiIBEqn.setReference(pRefCell_, pRefValue_);
+        phiIBEqn.setReference(pRefCell_, pRefValue_);
-     }
+    }
 
     phiIBEqn.solve();
 
@@ -211,11 +214,11 @@ void Foam::cfdemCloudIB::calcVelocityCorrection
     p=p+phiIB/U.mesh().time().deltaT();  // do we have to  account for rho here?
     p.correctBoundaryConditions();
 
-     if (couplingProperties_.found("checkinterface"))
+    if (couplingProperties_.found("checkinterface"))
-       {
+    {
-          Info << "checking no-slip on interface..." << endl;
+        Info << "checking no-slip on interface..." << endl;
 //          #include "checkInterfaceVelocity.H" //TODO: check carefully!
-       }
+    }
 
 }
 

src/lagrangian/cfdemParticle/etc/OFversion/OFversion.H

@@ -1,5 +1,5 @@
-#define version23  // currently being tested
+#define version23  // currently being used
-//#define version22  // currently being used
+//#define version22
 //#define version21
 //#define version16ext
 //#define version15

src/lagrangian/cfdemParticle/etc/additionalLibs

@@ -0,0 +1,8 @@
+# paths for additional libraries
+CFDEM_ADD_LIB_PATHS = \
+
+# additional libraries to be linked to solvers
+CFDEM_ADD_LIBS = \
+
+# additional static libraries to be linked to lagrangian library
+CFDEM_ADD_STATICLIBS = \

src/lagrangian/cfdemParticle/etc/bashrc

@@ -42,7 +42,7 @@
 if [[ $CFDEM_LAMMPS_LIB_DIR == "" ]]; then
     export CFDEM_LAMMPS_LIB_DIR=$CFDEM_LIGGGHTS_SRC_DIR/../lib/
 else
-    echo "using already defined CFDEM_LAMMPS_LIB_DIR=$CFDEM_LAMMPS_LIB_DIR ."
+    echo "using CFDEM_LAMMPS_LIB_DIR=$CFDEM_LAMMPS_LIB_DIR defined by user."
 fi
 
 #- LIGGGHTS lib name
@@ -54,6 +54,13 @@ export CFDEM_LIB_NAME=lagrangianCFDEM-$CFDEM_VERSION-$WM_PROJECT_VERSION
 #- CFDEM compressible lib name
 export CFDEM_LIB_COMP_NAME=lagrangianCFDEMcomp-$CFDEM_VERSION-$WM_PROJECT_VERSION
 
+#check if additional libraries should be compiled together with solvers
+if [[ $CFDEM_ADD_LIBS_DIR == "" ]]; then
+    export CFDEM_ADD_LIBS_DIR=$CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc
+else
+    echo "using CFDEM_ADD_LIBS_DIR=$CFDEM_ADD_LIBS_DIR defined by user."
+fi
+
 #-----------------------------------------------------
 # additional libraries
 

src/lagrangian/cfdemParticle/etc/cfdemSystemTest.sh

@@ -11,10 +11,15 @@ source $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc/functions.sh
 #- show gcc settings
 checkGPP="true"
 
+#- sys check for add on
+checkAddOn="true"
+
 #- system settings
-echo "*******************"
+printHeader
-echo "system settings:"
+
-echo "*******************"
+echo "*********************************"
+echo "CFDEM(R)coupling system settings:"
+echo "*********************************"
 
 echo "CFDEM_VERSION=$CFDEM_VERSION"
 echo "couple to OF_VERSION=$WM_PROJECT_VERSION"
@@ -29,8 +34,10 @@ checkDirComment "$CFDEM_SOLVER_DIR" '$CFDEM_SOLVER_DIR' "yes"
 checkDirComment "$CFDEM_TUT_DIR" '$CFDEM_TUT_DIR' "yes"
 checkDirComment "$CFDEM_LIGGGHTS_SRC_DIR" '$CFDEM_LIGGGHTS_SRC_DIR' "yes"
 checkDirComment "$CFDEM_LPP_DIR" '$CFDEM_LPP_DIR' "yes"
+checkDirComment "$CFDEM_ADD_LIBS_DIR" '$CFDEM_ADD_LIBS_DIR' "yes"
 checkDirComment "$CFDEM_PIZZA_DIR" '$CFDEM_PIZZA_DIR' "no"
 checkDirComment "$CFDEM_TEST_HARNESS_PATH" '$CFDEM_TEST_HARNESS_PATH' "no"
+checkDirComment "$C3PO_SRC_DIR" '$C3PO_SRC_DIR' "no"
 echo ""
 
 echo "library names"
@@ -61,3 +68,16 @@ if [ $checkGPP == "true" ]
     mpirun --version
 fi
 
+echo "**********************"
+echo "additional packages..."
+
+if [ $checkAddOn == "true" ]
+  then
+    packageName=c3po
+    filePath=$CFDEM_SRC_DIR/$packageName
+    if [ $(checkDir $filePath) == "true" ]; then
+        source $filePath/etc/$packageName"SystemTest.sh"
+    else
+        echo "$packageName does not exist." 
+    fi
+fi

src/lagrangian/cfdemParticle/etc/cshrc

@@ -37,6 +37,13 @@
 #- export environment variables (adapt to your paths)
 #------------------------------------------------------------------------------
 
+#check if default lammps lib path should be used
+if ( ! ($?CFDEM_LAMMPS_LIB_DIR) ) then
+    setenv CFDEM_LAMMPS_LIB_DIR $CFDEM_LIGGGHTS_SRC_DIR"/../lib/"
+else
+    echo "using CFDEM_LAMMPS_LIB_DIR=$CFDEM_LAMMPS_LIB_DIR defined by user."
+endif
+
 #- LIGGGHTS lib name
 setenv CFDEM_LIGGGHTS_LIB_NAME lmp_$CFDEM_LIGGGHTS_MAKEFILE_NAME
 
@@ -46,6 +53,16 @@ setenv CFDEM_LIB_NAME lagrangianCFDEM-$CFDEM_VERSION-$WM_PROJECT_VERSION
 #- CFDEM compressible lib name
 setenv CFDEM_LIB_COMP_NAME lagrangianCFDEMcomp-$CFDEM_VERSION-$WM_PROJECT_VERSION
 
+#check if additional libraries should be compiled together with solvers
+if ( ! ($?CFDEM_ADD_LIBS_DIR) ) then
+    setenv CFDEM_ADD_LIBS_DIR $CFDEM_SRC_DIR/lagrangian/cfdemParticle/etc
+else
+    echo "using CFDEM_ADD_LIBS_DIR=$CFDEM_ADD_LIBS_DIR defined by user."
+endif
+
+#-----------------------------------------------------
+# additional libraries
+
 #- LMP Many2Many lib path and makefile
 setenv CFDEM_Many2ManyLIB_PATH $CFDEM_SRC_DIR/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMany2Many/library
 setenv CFDEM_Many2ManyLIB_MAKEFILENAME $CFDEM_LIGGGHTS_MAKEFILE_NAME

src/lagrangian/cfdemParticle/etc/functions.sh

@@ -930,6 +930,52 @@ checkDirComment()
     fi
 }
 
+#========================================#
+#- function to check if a variable exits
+checkEnv()
+{
+    #--------------------------------------------------------------------------------#
+    #- define variables
+    var="$1"
+    #--------------------------------------------------------------------------------#
+    if [[ $var == "" ]]; then
+        echo "false"
+    else
+        echo "true"
+    fi
+}
+
+#========================================#
+#- function to check if a variable exits
+checkEnvComment()
+{
+    #--------------------------------------------------------------------------------#
+    #- define variables
+    var="$1"
+    varName="$2"
+    critical="$3"
+    #--------------------------------------------------------------------------------#
+    if [ $(checkEnv $var) == "true" ]; then
+         echo "valid:yes critical:$critical - $varName = $var" 
+    else
+        echo "valid:NO  critical:$critical - $varName = $var variable not set!" 
+    fi
+}
+
+#========================================#
+#- function to print a header to terminal
+printHeader()
+{
+    echo ""
+    echo "*********************************************"
+    echo "* C F D E M (R) c o u p l i n g             *"
+    echo "*                                           *"
+    echo "* by DCS Computing GmbH                     *"
+    echo "* www.dcs-computing.com                     *"
+    echo "*********************************************"
+    echo "" 
+}
+
 #========================================#
 #- track memory usage
 trackMem()

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/dataExchangeModel/dataExchangeModel.C

@@ -196,7 +196,7 @@ void Foam::dataExchangeModel::destroy(double* array) const
 //====
 
 
-bool Foam::dataExchangeModel::couple() const
+bool Foam::dataExchangeModel::couple(int i) const
 {
     bool coupleNow = false;
     if (doCoupleNow())

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/dataExchangeModel/dataExchangeModel.H

@@ -69,7 +69,6 @@ protected:
         int couplingInterval_;
 
     // Protected member functions
-        void setNumberOfParticles(int) const;
 
 public:
 
@@ -116,6 +115,8 @@ public:
 
 
     // Member Function
+        void setNumberOfParticles(int) const;
+
         inline const int& maxNumberOfParticles() const { return maxNumberOfParticles_; }
 
         template <typename T>
@@ -175,7 +176,7 @@ public:
         virtual void destroy(double*) const;
         //====
 
-        virtual bool couple() const;
+        virtual bool couple(int) const;
 
         virtual scalar timeStepFraction() const;
 

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMPI/twoWayMPI.C

@@ -108,7 +108,9 @@ twoWayMPI::twoWayMPI
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
 twoWayMPI::~twoWayMPI()
-{}
+{
+    if (liggghts == 1) delete lmp;
+}
 
 // * * * * * * * * * * * * * * * public Member Functions  * * * * * * * * * * * * * //
 void twoWayMPI::getData
@@ -239,10 +241,10 @@ void Foam::twoWayMPI::destroy(double* array) const
 }
 //============
 
-bool Foam::twoWayMPI::couple() const
+bool Foam::twoWayMPI::couple(int i) const
 {
     bool coupleNow = false;
-    if (doCoupleNow())
+    if (i==0)
     {
         couplingStep_++;
         coupleNow = true;
@@ -293,9 +295,9 @@ bool Foam::twoWayMPI::couple() const
                             DEMstepsToInterrupt[ind] -= DEMstepsToInterrupt[ind-1];
                     }
 
-                    Info << "Foam::twoWayMPI::couple(): interruptTimes=" << interruptTimes << endl;
+                    Info << "Foam::twoWayMPI::couple(i): interruptTimes=" << interruptTimes << endl;
-                    Info << "Foam::twoWayMPI::couple(): DEMstepsToInterrupt=" << DEMstepsToInterrupt << endl;
+                    Info << "Foam::twoWayMPI::couple(i): DEMstepsToInterrupt=" << DEMstepsToInterrupt << endl;
-                    Info << "Foam::twoWayMPI::couple(): lcModel=" << lcModel << endl;
+                    Info << "Foam::twoWayMPI::couple(i): lcModel=" << lcModel << endl;
                 }
 
                 if(particleCloud_.liggghtsCommand()[i]().type()=="runLiggghts")

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMPI/twoWayMPI.H

@@ -91,10 +91,11 @@ private:
 
     MPI_Comm comm_liggghts;
 
-    LAMMPS_NS::LAMMPS *lmp;
-
   // private member functions
 
+protected:
+    LAMMPS_NS::LAMMPS *lmp;
+
 public:
 
     //- Runtime type information
@@ -158,7 +159,7 @@ public:
         void destroy(int*) const;
         //==============
 
-        bool couple() const;
+        bool couple(int) const;
 
         int getNumberOfParticles() const;
         int getNumberOfClumps() const;

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMany2Many/twoWayMany2Many.C

@@ -388,11 +388,10 @@ void inline Foam::twoWayMany2Many::destroy(int* array) const
 //==============
 
 
-bool Foam::twoWayMany2Many::couple() const
+bool Foam::twoWayMany2Many::couple(int i) const
 {
     bool coupleNow = false;
-    label commandLines(0);
+    if (i==0)
-    if (doCoupleNow())
     {
         couplingStep_++;
         coupleNow = true;
@@ -408,7 +407,7 @@ bool Foam::twoWayMany2Many::couple() const
 
                 if (particleCloud_.liggghtsCommand()[i]().runCommand(couplingStep()))
                 {
-                    commandLines=particleCloud_.liggghtsCommand()[i]().commandLines();
+                    label commandLines = particleCloud_.liggghtsCommand()[i]().commandLines();
                     for (int j=0; j<commandLines; j++)
                     {
                         const char* command = particleCloud_.liggghtsCommand()[i]().command(j);
@@ -443,7 +442,7 @@ bool Foam::twoWayMany2Many::couple() const
         setPositions(nlocal_foam_,pos_foam_);
         setCellIDs(nlocal_foam_,cellID_foam_);
 
-        Info <<"Foam::twoWayMany2Many::couple() done." << endl;
+        Info <<"Foam::twoWayMany2Many::couple(i) done." << endl;
     }
     return coupleNow;
 }

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayMany2Many/twoWayMany2Many.H

@@ -201,7 +201,7 @@ public:
         void inline destroy(int*) const;
         //==============
 
-        bool couple() const;
+        bool couple(int) const;
 
         int getNumberOfParticles() const;
         int getNumberOfClumps() const;

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

@@ -128,7 +128,7 @@ void DiFeliceDrag::setForce() const
     vector Ufluid(0,0,0);
     vector drag(0,0,0);
     vector dragExplicit(0,0,0);
-  	scalar dragCoefficient(0);
+    scalar dragCoefficient(0);
     label cellI=0;
     vector Us(0,0,0);
     vector Ur(0,0,0);
@@ -198,7 +198,7 @@ void DiFeliceDrag::setForce() const
 
                     drag = dragCoefficient*Ur; //total drag force!
 
-                    forceSubM(0).explicitInterpCorr(dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],forceSubM(0).verbose(),index);
+                    forceSubM(0).explicitCorr(drag,dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],forceSubM(0).verbose(),index);
                 }
 
                 if(forceSubM(0).verbose() && index >-1 && index <102)

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

@@ -223,8 +223,8 @@ void GidaspowDrag::setForce() const
 
                 drag = dragCoefficient * Ur;
 
-                // explicitInterpCorr
+                // explicitCorr
-                forceSubM(0).explicitInterpCorr(dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],forceSubM(0).verbose());
+                forceSubM(0).explicitCorr(drag,dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],forceSubM(0).verbose());
 
                 if(forceSubM(0).verbose() && index >=0 && index <2)
                 {

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

@@ -231,8 +231,8 @@ void KochHillDrag::setForce() const
                     {
                         drag = dragCoefficient * Ur;
 
-                        // explicitInterpCorr
+                        // explicitCorr
-                        forceSubM(0).explicitInterpCorr(dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],forceSubM(0).verbose());
+                        forceSubM(0).explicitCorr(drag,dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],forceSubM(0).verbose());
                     }
                 }
 

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

@@ -353,8 +353,8 @@ void KochHillRWDrag::setForce() const
 
                     drag = dragCoefficient * Ur;
 
-                    // explicitInterpCorr
+                    // explicitCorr
-                    forceSubM(0).explicitInterpCorr(dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],verbose_);
+                    forceSubM(0).explicitCorr(drag,dragExplicit,dragCoefficient,Ufluid,U_[cellI],Us,UsField_[cellI],verbose_);
                 }
 
                 if(verbose_ && index >=0 && index <2)

src/lagrangian/cfdemParticle/subModels/forceModel/forceSubModels/forceSubModel/forceSubModel.C

@@ -179,8 +179,9 @@ void forceSubModel::partToArray
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
-void forceSubModel::explicitInterpCorr
+void forceSubModel::explicitCorr
 (
+    vector& dragImplicit,
     vector& dragExplicit,
     scalar& dragCoefficient,
     vector& Ufluid,
@@ -218,11 +219,15 @@ void forceSubModel::readSwitches() const
         particleCloud_.impDEMdrag_=true;
 
         // do sanity check
+        // This can work if the accumulator is used, but is explicitely applied on the CFD side
+        // Sanity check is therefore not necessary here
+        /*
         if(switches_[0]) // treatExplicit=true
         {
             FatalError << "Please check your settings, treatExplicit together with implForceDEM does not work!."
                        << abort(FatalError);
         }
+        */
     }
 
     if(switches_[7]) // implForceDEMaccumulated=true
@@ -320,7 +325,7 @@ const volVectorField& forceSubModel::divTauField(const volVectorField& U) const
 const volVectorField& forceSubModel::IBDragPerV(const volVectorField& U,const volScalarField& p) const
 {
     #ifdef compre
-        IBDragPerV_ = muField()*fvc::laplacian(U)-fvc::grad(p)
+        IBDragPerV_ = muField()*fvc::laplacian(U)-fvc::grad(p);
     #else
         IBDragPerV_ = rhoField()*(nuField()*fvc::laplacian(U)-fvc::grad(p));
     #endif

src/lagrangian/cfdemParticle/subModels/forceModel/forceSubModels/forceSubModel/forceSubModel.H

@@ -132,7 +132,7 @@ public:
     // Member Functions
         void partToArray(label&, vector&, const vector&, const vector& Ufluid=vector::zero, scalar Cd=scalar(0)) const;
 
-        virtual void explicitInterpCorr(vector&, scalar&, vector&, const vector&, vector&, const vector&, bool,label index=100) const;
+        virtual void explicitCorr(vector&, vector&, scalar&, vector&, const vector&, vector&, const vector&, bool,label index=100) const;
 
     // Access
 

src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/liggghtsCommandModel/liggghtsCommandModel.C

@@ -30,6 +30,7 @@ Description
 \*---------------------------------------------------------------------------*/
 
 #include "error.H"
+#include <sys/stat.h>
 #include "liggghtsCommandModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -120,8 +121,8 @@ void liggghtsCommandModel::checkTimeSettings(const dictionary& propsDict)
             timeInterval_ = -1;
 
             // calculate coupling times
-            firstCouplingStep_ = floor(startTime_/DEMts/couplingInterval);
+            firstCouplingStep_ = floor((startTime_+SMALL)/DEMts/couplingInterval);
-            lastCouplingStep_ = floor(endTime_/DEMts/couplingInterval);
+            lastCouplingStep_ = floor((endTime_+SMALL)/DEMts/couplingInterval);
             couplingStepInterval_ = -1;
         }
         else         //runEveryCouplingStep of every n steps or every writeStep
@@ -134,6 +135,7 @@ void liggghtsCommandModel::checkTimeSettings(const dictionary& propsDict)
                 timeInterval_ = readScalar(propsDict.lookup("timeInterval"));
 
                 // calculate coupling times
+                // if this makes troubles try floor((startTime_+SMALL)/.. as above
                 firstCouplingStep_ = floor(startTime_/DEMts/couplingInterval)+1;
                 lastCouplingStep_ = floor(endTime_/DEMts/couplingInterval)+1;
                 couplingStepInterval_ = floor(timeInterval_/DEMts/couplingInterval)+1;
@@ -238,6 +240,13 @@ DynamicList<scalar> liggghtsCommandModel::executionsWithinPeriod(scalar TSstart,
     return executions;
 }
 
+bool liggghtsCommandModel::checkPath(fileName path)
+{
+    struct stat buffer;
+    return (stat (path.c_str(), &buffer) == 0);
+}
+
+
 void liggghtsCommandModel::parseCommandList(wordList& commandList,labelList& labelList,scalarList& scalarList,word& command, dictionary& propsDict, bool timeStamp)
 {
     bool addBlank = true;  // std no blanks after each word

src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/liggghtsCommandModel/liggghtsCommandModel.H

@@ -160,6 +160,8 @@ public:
 
         DynamicList<scalar> executionsWithinPeriod(scalar,scalar);
 
+        bool checkPath(fileName);
+
     // Access
 
         int nextRun(){return nextRun_;};

src/lagrangian/cfdemParticle/subModels/liggghtsCommandModel/writeLiggghts/writeLiggghts.C

@@ -81,6 +81,15 @@ writeLiggghts::writeLiggghts
             writeLast_=Switch(propsDict_.lookup("writeLast"));
         }
 
+        if (propsDict_.found("path"))
+        {
+            path_=fileName(propsDict_.lookup("path"));
+            if (!checkPath(path_))
+                FatalError<<"The path you provided in writeLiggghtsProps is incorrect: " << path_ << "\n" << abort(FatalError);
+            else
+                Info << "Using user defined path to write LIGGGHTS restart file: " << path_ << endl;
+        }
+
         if(propsDict_.found("writeName"))
         {
             propsDict_.lookup("writeName") >> writeName_;

src/lagrangian/cfdemParticle/subModels/probeModel/particleProbe/particleProbe.C

@@ -99,7 +99,9 @@ particleProbe::particleProbe
 // * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
 
 particleProbe::~particleProbe()
-{}
+{
+    clearProbes();
+}
 
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
@@ -112,6 +114,7 @@ void particleProbe::setOutputFile() const
     else
         currItemId_+=1;
     sPtr = sPtrList_[currItemId_-1]; //set the pointer to the output file from list
+    probeIndex_=currItemId_-1;
 }
 
 
@@ -216,14 +219,79 @@ void particleProbe::writeHeader() const
 void particleProbe::clearProbes() const
 {
     for (unsigned int i=0; i<vProbes_.size(); i++)
-        delete vProbes_[i];
+        vProbes_[i].clear();
+  
+    for (unsigned int j=0; j<sProbes_.size(); j++)
+        sProbes_[j].clear();
 
     sProbes_.clear();
     vProbes_.clear();
 }
 
+void particleProbe::updateProbes(int index, Field<scalar> sValues, Field<vector> vValues) const
+{
+    int vSize_=vProbes_.size();
+    int sSize_=sProbes_.size();
+
+    //check if the particle already has an allocated vector. If not, create it. It should be only called at the beginning.
+    while(index >= vSize_)
+    {
+        std::vector<double*> particleVector_;
+        vProbes_.push_back(particleVector_);
+        vSize_=vProbes_.size();
+    }
+
+    while(index >= sSize_)
+    {
+        std::vector<double> particleScalar_;
+        sProbes_.push_back(particleScalar_);
+        sSize_=sProbes_.size();
+    }
+
+    //register vector probes on the corresponding vector
+    forAll(vValues, iter)
+    {
+        int ProbeSize_=vProbes_[index].size();
+
+        if(probeIndex_<ProbeSize_) //The corresponding probe for this particle already exists, values are overwritten.
+        {
+            vProbes_[index][probeIndex_][0]=vValues[iter][0];
+            vProbes_[index][probeIndex_][1]=vValues[iter][1];
+            vProbes_[index][probeIndex_][2]=vValues[iter][2];
+        }
+        else //The corresponding probe for this particle has to be created
+        {
+            double * probe_= new double[3];
+
+            probe_[0]=vValues[iter][0];
+            probe_[1]=vValues[iter][1];
+            probe_[2]=vValues[iter][2];
+
+            vProbes_[index].push_back(probe_);
+        }
+    }
+
+    //register scalar probes on the corresponding vector
+    forAll(sValues, iter)
+    {
+        int ProbeSize_=sProbes_[index].size();
+
+        if(probeIndex_<ProbeSize_) //The corresponding probe for this particle already exists, values are overwritten.
+        {
+            sProbes_[index][probeIndex_]=sValues[iter];
+        }
+        else //The corresponding probe for this particle has to be created
+        {
+            sProbes_[index].push_back(sValues[iter]);
+        }
+    }
+}
+
 void particleProbe::writeProbe(int index, Field<scalar> sValues, Field<vector> vValues) const
 {
+    updateProbes(index,sValues,vValues); //update probe vectors
+
+
     if(printNow_ && checkIDForPrint(index) &&  verboseToFile_)
     {
         //index and time
@@ -231,7 +299,6 @@ void particleProbe::writeProbe(int index, Field<scalar> sValues, Field<vector> v
         *sPtr << index  << tab << particleCloud_.mesh().time().value()  << "   ";
         *sPtr << "||   ";
 
-        int vsize_ = vProbes_.size();
         //vectorFields
         *sPtr << setprecision(writePrecision_);
         forAll(vValues, iter)
@@ -241,21 +308,6 @@ void particleProbe::writeProbe(int index, Field<scalar> sValues, Field<vector> v
             *sPtr << vValues[iter][1] << "   ";
             *sPtr << vValues[iter][2] << "   ";
 
-            if(index < vsize_)
-            {
-                vProbes_[index][0] += vValues[iter][0];
-                vProbes_[index][1] += vValues[iter][1];
-                vProbes_[index][2] += vValues[iter][2];
-            }
-            else
-            {
-                double * vprobe_ = new double[3];
-                vprobe_[0] = vValues[iter][0];
-                vprobe_[1] = vValues[iter][1];
-                vprobe_[2] = vValues[iter][2];
-
-                vProbes_.push_back(vprobe_);
-            }
         }
 
         //scalarFields
@@ -265,7 +317,6 @@ void particleProbe::writeProbe(int index, Field<scalar> sValues, Field<vector> v
             forAll(sValues, iter)
             {
                 *sPtr << sValues[iter] << "   ";
-                sProbes_.push_back(sValues[iter]);
             }
         }
 

src/lagrangian/cfdemParticle/subModels/probeModel/particleProbe/particleProbe.H

@@ -101,9 +101,13 @@ private:
 
     mutable bool printNow_;
 
-    mutable std::vector<double> sProbes_;
+    mutable std::vector< std::vector<double> > sProbes_;
 
-    mutable std::vector<double*> vProbes_;
+    mutable std::vector< std::vector<double*> > vProbes_;
+
+    mutable  std::vector<std::string> probeName_;
+
+    mutable int probeIndex_;
 
 public:
 
@@ -127,6 +131,7 @@ public:
         ~particleProbe();
 
     // Member Functions
+    void updateProbes(int index, Field<scalar> sValues, Field<vector> vValues) const;
     void initialize(word typeName, word logFileName) const;
     void setOutputFile() const;
     void writeHeader() const;
@@ -134,8 +139,9 @@ public:
     bool checkIDForPrint(int) const;
     void setCounter() const;
     void clearProbes() const;
-    std::vector<double*>* getVprobe() { return &vProbes_; }
+    std::vector< std::vector<double*> >* getVprobe() { return &vProbes_; }
-    std::vector<double>* getSprobe() { return &sProbes_; }
+    std::vector< std::vector<double> >* getSprobe() { return &sProbes_; }
+
 };
 
 

src/lagrangian/cfdemParticle/subModels/probeModel/probeModel/probeModel.H

@@ -140,8 +140,8 @@ public:
     virtual bool checkIDForPrint(int) const { return false; }
     virtual void setCounter() const {}
     virtual bool active() const { return true; }
-    virtual std::vector<double*>* getVprobe() { return NULL; }
+    virtual std::vector< std::vector<double*> >* getVprobe() { return NULL; }
-    virtual std::vector<double>* getSprobe() { return NULL; }
+    virtual std::vector< std::vector<double> >* getSprobe() { return NULL; }
     virtual void clearProbes() const {}
 
     // Access

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/Allrun.sh

@@ -23,5 +23,5 @@ else
 fi
 
 
-gnome-terminal --title='cfdemSolverIB twoSpheresGlowinskiMPI CFD' -e "bash $casePath/parCFDDEMrun.sh"
+#gnome-terminal --title='cfdemSolverIB twoSpheresGlowinskiMPI CFD' -e "bash $casePath/parCFDDEMrun.sh"
-
+bash $casePath/parCFDDEMrun.sh

tutorials/cfdemSolverPiso/ErgunTestMPI/Allrun.sh

@@ -26,4 +26,5 @@ else
 fi
 
 #- run parallel CFD-DEM in new terminal
-gnome-terminal --title='cfdemSolverPiso ErgunTestMPI CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+#gnome-terminal --title='cfdemSolverPiso ErgunTestMPI CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+bash $casePath/parCFDDEMrun.sh

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/constant/couplingProperties

@@ -26,6 +26,9 @@ FoamFile
 //===========================================================================//
 // sub-models & settings
 
+syncMode false;
+//verbose;
+
 modelType "A"; // A or B
 
 couplingInterval 100;
@@ -171,7 +174,7 @@ KochHillDragProps
     //);
     implForceDEM true;
     //implForceDEMaccumulated true;
-    //explicitInterpCorr true;
+    //explicitCorr true;
 }
 
 BeetstraDragProps

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/system/controlDict

@@ -63,27 +63,27 @@ functions
         name        probes;
         probeLocations
         (
-            (0 0 0.0001)
+            (0.00003 0 0.0001)
-            (0 0 0.0026)
+            (0.00003 0 0.0026)
-            (0 0 0.0051)
+            (0.00003 0 0.0051)
-            (0 0 0.0076)
+            (0.00003 0 0.0076)
-            (0 0 0.0101)
+            (0.00003 0 0.0101)
-            (0 0 0.0126)
+            (0.00003 0 0.0126)
-            (0 0 0.0151)
+            (0.00003 0 0.0151)
-            (0 0 0.0176)
+            (0.00003 0 0.0176)
-            (0 0 0.0201)
+            (0.00003 0 0.0201)
-            (0 0 0.0226)
+            (0.00003 0 0.0226)
-            (0 0 0.0251)
+            (0.00003 0 0.0251)
-            (0 0 0.0276)
+            (0.00003 0 0.0276)
-            (0 0 0.0301)
+            (0.00003 0 0.0301)
-            (0 0 0.0326)
+            (0.00003 0 0.0326)
-            (0 0 0.0351)
+            (0.00003 0 0.0351)
-            (0 0 0.0375)
+            (0.00003 0 0.0375)
-            (0 0 0.0401)
+            (0.00003 0 0.0401)
-            (0 0 0.0426)
+            (0.00003 0 0.0426)
-            (0 0 0.0451)
+            (0.00003 0 0.0451)
-            (0 0 0.0476)
+            (0.00003 0 0.0476)
-            (0 0 0.0529)
+            (0.00003 0 0.0529)
         );
 
         // Fields to be probed

tutorials/cfdemSolverPiso/ErgunTestMPI/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="4"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off| strict          # on | off| strict
+debugMode="off"          # on | off| strict
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"

tutorials/cfdemSolverPiso/ErgunTestMPI_cgs/Allrun.sh

@@ -26,5 +26,5 @@ else
 fi
 
 #- run parallel CFD-DEM in new terminal
-gnome-terminal --title='cfdemSolverPiso ErgunTestMPI CFD'  -e "bash $casePath/parCFDDEMrun.sh"
+#gnome-terminal --title='cfdemSolverPiso ErgunTestMPI_cgs CFD'  -e "bash $casePath/parCFDDEMrun.sh"
-
+bash $casePath/parCFDDEMrun.sh

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/Allrun.sh

@@ -49,7 +49,8 @@ cp $casePath/CFD/constant/couplingProperties_restart $casePath/CFD/constant/coup
 cp $casePath/CFD/system/controlDict_restart $casePath/CFD/system/controlDict
 
 #- run parallel CFD-DEM in new terminal
-gnome-terminal --title='cfdemSolverPiso ErgunTestMPI_restart CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+#gnome-terminal --title='cfdemSolverPiso ErgunTestMPI_restart CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+bash $casePath/parCFDDEMrun.sh
 
 
 #- wait until sim has finished then run octave

tutorials/cfdemSolverPiso/settlingTestMPI/Allrun.sh

@@ -19,5 +19,5 @@ else
 fi
 
 #- run parallel CFD-DEM in new terminal
-gnome-terminal --title='cfdemSolverPiso settlingTest CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+#gnome-terminal --title='cfdemSolverPiso settlingTest CFD'  -e "bash $casePath/parCFDDEMrun.sh"
-
+bash $casePath/parCFDDEMrun.sh

tutorials/cfdemSolverPisoScalar/packedBedTemp/Allrun.sh

@@ -26,5 +26,5 @@ else
 fi
 
 #- run parallel CFD-DEM in new terminal
-gnome-terminal --title='cfdemSolverPisoScalar packedBedTemp CFD'  -e "bash $casePath/parCFDDEMrun.sh" 
+#gnome-terminal --title='cfdemSolverPisoScalar packedBedTemp CFD'  -e "bash $casePath/parCFDDEMrun.sh"
-
+bash $casePath/parCFDDEMrun.sh