release on 2013-01-07_19-24-25

README

@@ -1,82 +0,0 @@
-/*---------------------------------------------------------------------------*\
-    CFDEMcoupling - Open Source CFD-DEM coupling
-
-    CFDEMcoupling is part of the CFDEMproject
-    www.cfdem.com
-                                Christoph Goniva, christoph.goniva@cfdem.com
-                                Copyright 2009-2012 JKU Linz
-                                Copyright 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, write to the Free Software Foundation,
-    Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
-
-Description
-    This code is designed to realize coupled CFD-DEM simulations using LIGGGHTS
-    and OpenFOAM. Note: this code is not part of OpenFOAM (see DISCLAIMER).
-\*---------------------------------------------------------------------------*/
-
-
-CFDEM coupling provides an open source parallel coupled CFD-DEM framework 
-combining the strengths of LIGGGHTS DEM code and the Open Source 
-CFD package OpenFOAM(R)(*). The CFDEMcoupling toolbox allows to expand 
-standard CFD solvers of OpenFOAM(R)(*) to include a coupling to the DEM 
-code LIGGGHTS. In this toolbox the particle representation within the 
-CFD solver is organized by "cloud" classes. Key functionalities are organised 
-in sub-models (e.g. force models, data exchange models, etc.) which can easily 
-be selected and combined by dictionary settings.
-
-The coupled solvers run fully parallel on distributed-memory clusters. 
-
-Features are:
-
-- its modular approach allows users to easily implement new models
-- its MPI parallelization enables to use it for large scale problems
-- the "forum"_lws on CFD-DEM gives the possibility to exchange with other 
-  users / developers
-- the use of GIT allows to easily update to the latest version
-- basic documentation is provided
-
-The file structure:
-
-- "src" directory including the source files of the coupling toolbox and models
-- "applications" directory including the solver files for coupled CFD-DEM simulations
-- "doc" directory including the documentation of CFDEMcoupling
-- "tutorials" directory including basic tutorial cases showing the functionality
-
-
-
-Details on installation are given on the "www.cfdem.com"
-
-The functionality of this CFD-DEM framwork is described via "tutorial cases" showing 
-how to use different solvers and models.
-
-CFDEMcoupling stands for Computational Fluid Dynamics (CFD) -
-Discrete Element Method (DEM) coupling.
-
-CFDEMcoupling is an open-source code, distributed freely under the terms of the 
-GNU Public License (GPL).
-
-Core development of CFDEMcoupling is done by 
-Christoph Goniva and Christoph Kloss, both at DCS Computing GmbH, 2012
-
-
-\*---------------------------------------------------------------------------*/
-(*) "OpenFOAM(R)"_of is a registered trade mark of Silicon Graphics 
-International Corp. This offering is not affiliated, approved or endorsed by 
-Silicon Graphics International Corp., the producer of the OpenFOAM(R) software 
-and owner of the OpenFOAM(R) trademark.
-\*---------------------------------------------------------------------------*/

doc/CFDEMcoupling_Manual.txt

@@ -433,6 +433,8 @@ Reasonable example settings for the "liggghtsCommands" dictionary are given in t
 
 
 
+
+
 
 
 

doc/githubAccess_public.html

@@ -166,4 +166,10 @@ CFDEMcoupling-PUBLIC-$WM_PROJECT_VERSION
 </P>
 <P>(see http://stackoverflow.com/questions/3777075/https-github-access)
 </P>
+<P><B>c)</B> If you face the error: "Agent admitted failure to sign using the key. Permission denied (publickey).", after ssh -T git@github.com
+</P>
+<P>please type: "ssh-add"
+</P>
+<P>(see: https://help.github.com/articles/error-agent-admitted-failure-to-sign)
+</P>
 </HTML>

doc/githubAccess_public.txt

@@ -150,3 +150,9 @@ please use: env GIT_SSL_NO_VERIFY=true git clone https://github...
 
 (see http://stackoverflow.com/questions/3777075/https-github-access)
 
+
+[c)] If you face the error: "Agent admitted failure to sign using the key. Permission denied (publickey).", after ssh -T git@github.com
+
+please type: "ssh-add"
+
+(see: https://help.github.com/articles/error-agent-admitted-failure-to-sign)

src/lagrangian/cfdemParticle/Make/files

@@ -20,18 +20,33 @@ $(forceModels)/forceModel/forceModel.C
 $(forceModels)/forceModel/newForceModel.C
 $(forceModels)/noDrag/noDrag.C
 $(forceModels)/DiFeliceDrag/DiFeliceDrag.C
+$(forceModels)/DiFeliceDragNLift/DiFeliceDragNLift.C
 $(forceModels)/GidaspowDrag/GidaspowDrag.C
 $(forceModels)/SchillerNaumannDrag/SchillerNaumannDrag.C
 $(forceModels)/Archimedes/Archimedes.C
 $(forceModels)/ArchimedesIB/ArchimedesIB.C
 $(forceModels)/interface/interface.C
 $(forceModels)/ShirgaonkarIB/ShirgaonkarIB.C
+$(forceModels)/fieldTimeAverage/fieldTimeAverage.C
+$(forceModels)/fieldBound/fieldBound.C
+$(forceModels)/volWeightedAverage/volWeightedAverage.C
+$(forceModels)/totalMomentumExchange/totalMomentumExchange.C
 $(forceModels)/KochHillDrag/KochHillDrag.C
+$(forceModels)/BeetstraDrag/multiphaseFlowBasic/multiphaseFlowBasic.C
+$(forceModels)/BeetstraDrag/BeetstraDrag.C
+$(forceModels)/LaEuScalarLiquid/LaEuScalarLiquid.C
 $(forceModels)/LaEuScalarTemp/LaEuScalarTemp.C
+$(forceModels)/LaEuScalarDust/LaEuScalarDust.C
 $(forceModels)/virtualMassForce/virtualMassForce.C
 $(forceModels)/gradPForce/gradPForce.C
+$(forceModels)/gradULiftForce/gradULiftForce.C
 $(forceModels)/viscForce/viscForce.C
 $(forceModels)/MeiLift/MeiLift.C
+$(forceModels)/KochHillDragNLift/KochHillDragNLift.C
+$(forceModels)/solidsPressureForce/solidsPressureForce.C
+$(forceModels)/periodicPressure/periodicPressure.C
+$(forceModels)/periodicPressureControl/periodicPressureControl.C
+$(forceModels)/averageSlipVel/averageSlipVel.C
 
 $(forceModelsMS)/forceModelMS/forceModelMS.C
 $(forceModelsMS)/forceModelMS/newForceModelMS.C
@@ -42,6 +57,7 @@ $(IOModels)/IOModel/newIOModel.C
 $(IOModels)/noIO/noIO.C
 $(IOModels)/basicIO/basicIO.C
 $(IOModels)/trackIO/trackIO.C
+$(IOModels)/sophIO/sophIO.C
 
 $(voidFractionModels)/voidFractionModel/voidFractionModel.C
 $(voidFractionModels)/voidFractionModel/newVoidFractionModel.C
@@ -60,20 +76,22 @@ $(locateModels)/turboEngineSearch/turboEngineSearch.C
 $(locateModels)/turboEngineSearchM2M/turboEngineSearchM2M.C
 $(locateModels)/engineSearchIB/engineSearchIB.C
 
-
 $(meshMotionModels)/meshMotionModel/meshMotionModel.C
 $(meshMotionModels)/meshMotionModel/newMeshMotionModel.C
 $(meshMotionModels)/noMeshMotion/noMeshMotion.C
+$(meshMotionModels)/DEMdrivenMeshMotion/DEMdrivenMeshMotion.C
 
 $(momCoupleModels)/momCoupleModel/momCoupleModel.C
 $(momCoupleModels)/momCoupleModel/newMomCoupleModel.C
 $(momCoupleModels)/explicitCouple/explicitCouple.C
+$(momCoupleModels)/explicitCoupleSource/explicitCoupleSource.C
 $(momCoupleModels)/implicitCouple/implicitCouple.C
 $(momCoupleModels)/noCouple/noCouple.C
 
 $(regionModels)/regionModel/regionModel.C
 $(regionModels)/regionModel/newRegionModel.C
 $(regionModels)/allRegion/allRegion.C
+$(regionModels)/differentialRegion/differentialRegion.C
 
 $(dataExchangeModels)/dataExchangeModel/dataExchangeModel.C
 $(dataExchangeModels)/dataExchangeModel/newDataExchangeModel.C

src/lagrangian/cfdemParticle/cfdTools/versionInfo.H

@@ -1,4 +1,4 @@
-word CFDEMversion="cfdem-2.4.4";
+word CFDEMversion="cfdem-2.4.5";
 word compatibleLIGGGHTSversion="2.0.4";
 
 Info << "\nCFDEMcoupling version: " << CFDEMversion << "\n" <<  endl;

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.C

@@ -230,18 +230,24 @@ Foam::cfdemCloud::cfdemCloud
 Foam::cfdemCloud::~cfdemCloud()
 {
     clockM().evalPar();
-    free(positions_);
+    free2D(positions_);
-    free(velocities_);
+    free2D(velocities_);
-    free(impForces_);
+    free2D(impForces_);
-    free(expForces_);
+    free2D(expForces_);
-    free(DEMForces_);
+    free2D(DEMForces_);
-    free(radii_);
+    free2D(radii_);
-    free(voidfractions_);
+    free2D(voidfractions_);
-    free(cellIDs_);
+    free2D(cellIDs_);
-    free(particleWeights_);
+    free2D(particleWeights_);
-    free(particleVolumes_);
+    free2D(particleVolumes_);
 }
 // * * * * * * * * * * * * * * * private Member Functions  * * * * * * * * * * * * * //
+inline void Foam::cfdemCloud::free2D(double** array)
+{
+    free(array[0]);
+    free(array);
+}
+
 void Foam::cfdemCloud::getDEMdata()
 {
     dataExchangeM().getData("radius","scalar-atom",radii_);

src/lagrangian/cfdemParticle/cfdemCloud/cfdemCloud.H

@@ -165,6 +165,8 @@ protected:
     autoPtr<liggghtsCommandModel>* liggghtsCommand_;
 
 // Private member functions
+    inline void free2D(double**);
+
     virtual void getDEMdata();
 
     virtual void giveDEMdata();

src/lagrangian/cfdemParticle/etc/bashrc

@@ -107,6 +107,9 @@ alias cfdemCompM2M='bash $CFDEM_SRC_DIR/etc/compileM2Mlib.sh'
 #- shortcut to test basic tutorials
 alias cfdemTestTUT='bash $CFDEM_SRC_DIR/etc/testTutorials.sh'
 
+#- recursive touch of current directory
+alias touchRec='find ./* -exec touch {} \;'
+
 #- shortcut to run liggghts in serial
 cfdemLiggghts() { $CFDEM_LIGGGHTS_SRC_DIR/lmp_$CFDEM_LIGGGHTS_MAKEFILE_NAME < $1; }
 export -f cfdemLiggghts

src/lagrangian/cfdemParticle/etc/functions.sh

@@ -313,6 +313,8 @@ parCFDDEMrun()
 
     if [ $debugMode == "on" ]; then
         debugMode="valgrind"
+    elif [ $debugMode == "strict" ]; then
+        debugMode="valgrind --leak-check=full -v --trace-children=yes --track-origins=yes"   
     else
         debugMode=""
     fi

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

@@ -62,13 +62,16 @@ basicIO::basicIO
 :
     IOModel(dict,sm),
     //propsDict_(dict.subDict(typeName + "Props")),
-    dirName_("particles"),
+    dirName_("lagrangian"),
     path_("dev/null"),
+    m2mComm_(false),
     lagPath_("dev/null")
 {
+	if (particleCloud_.dataExchangeM().myType()=="twoWayM2M"){m2mComm_=true;} //typeName did not work
+    Info << "particleCloud_.dataExchangeM().typeName=" << particleCloud_.dataExchangeM().myType() << endl;
+
     //if (propsDict_.found("dirName")) dirName_=word(propsDict_.lookup("dirName"));
     path_ = buildFilePath(dirName_);
-
 }
 
 
@@ -87,9 +90,13 @@ void basicIO::dumpDEMdata() const
     if (time_.outputTime())
     {
         // make time directory
-        lagPath_=createTimeDir(path_);
+        if (m2mComm_) lagPath_=buildFilePath(dirName_);
-        lagPath_=createTimeDir(fileName(lagPath_/"lagrangian"));
+        else
-
+        {
+        	lagPath_=createTimeDir(path_);
+        	lagPath_=createTimeDir(fileName(lagPath_/"lagrangian"));
+        }
+        
         // stream data to file
         streamDataToPath(lagPath_, particleCloud_.positions(), particleCloud_.numberOfParticles(), "positions","vector","Cloud<passiveParticle>","0");
         streamDataToPath(lagPath_, particleCloud_.velocities(), particleCloud_.numberOfParticles(), "v","vector","vectorField","");
@@ -102,11 +109,19 @@ void basicIO::dumpDEMdata() const
 fileName basicIO::buildFilePath(word dirName) const
 {
     // create file structure
-    fileName path("."/dirName);
+	fileName path("");
-    mkDir(path,0777);
+    if(m2mComm_)
-    mkDir(fileName(path/"constant"),0777);
+    {
-    OFstream* stubFile = new OFstream(fileName(path/"particles.foam"));
+    	path=fileName(particleCloud_.mesh().time().path()/particleCloud_.mesh().time().timeName()/dirName/"particleCloud");
-    delete stubFile;
+    	mkDir(path,0777);
+    } else
+    {
+		path=fileName("."/dirName);
+    	mkDir(path,0777);
+    	mkDir(fileName(path/"constant"),0777);
+    	OFstream* stubFile = new OFstream(fileName(path/"particles.foam"));
+    	delete stubFile;
+        }
     return path;
 }
 

src/lagrangian/cfdemParticle/subModels/IOModel/basicIO/basicIO.H

@@ -40,6 +40,7 @@ SourceFiles
 #define basicIO_H
 
 #include "IOModel.H"
+#include "dataExchangeModel.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -63,6 +64,8 @@ private:
 
     fileName path_;
 
+    bool m2mComm_;
+
     // Member Functions
     fileName buildFilePath(word) const;
 

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

@@ -135,7 +135,7 @@ void Foam::dataExchangeModel::allocateArray
     int length
 ) const
 {
-    // allocate and init double array
+    // allocate and init int array
     array = new int[length];
     for (int i=0; i<length; i++)
         array[i] = initVal;

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

@@ -237,6 +237,7 @@ public:
                 particleCloud_.cellIDs_[i][0]=ID[i];
         };
 
+        virtual word myType() const=0;
 };
 
 

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

@@ -100,6 +100,7 @@ public:
             const char* datatype = ""
         ) const {};
 
+        word myType() const{return typeName; };
 };
 
 

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

@@ -112,6 +112,7 @@ public:
             const char* datatype = ""
         ) const;
 
+        word myType() const{return typeName; };
 };
 
 

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

@@ -117,6 +117,8 @@ public:
             double ** const& field,
             const char* datatype = ""
         ) const;
+
+        word myType() const{return typeName; };
 };
 
 

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayM2M/twoWayM2M.C

@@ -33,6 +33,7 @@ Description
 #include "twoWayM2M.H"
 #include "addToRunTimeSelectionTable.H"
 #include "clockModel.H"
+#include "memory.h"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 
@@ -134,6 +135,8 @@ twoWayM2M::twoWayM2M
     nlocal_foam_ = -1;
     id_foam_ = NULL;
     id_foam_vec_ = NULL;
+    tmp_ = NULL;
+    tmpI_ = NULL;
     pos_lammps_=NULL;
     nlocal_foam_lost_ = -1;
     id_foam_lost_ = NULL;
@@ -152,20 +155,22 @@ twoWayM2M::~twoWayM2M()
 {
     //delete[] id_lammps_; // does not work?
     //delete[] id_lammpsComm_;
-    delete[] id_lammps_vec_;
+    free(id_lammps_vec_);
-    delete[] id_foam_vec_;
+    free(id_foam_vec_);
-    delete[] id_foam_;
+    free(id_foam_);
-    delete[] id_foam_lost_;
+    free(id_foam_lost_);
-    delete[] lost_pos_;
+    free(lost_pos_);
-    delete[] cellID_foam_;
+    free(cellID_foam_);
-    delete[] pos_foam_;
+    free(pos_foam_);
     //delete& lmp2foam_;  // suitable for m2m&
     //delete& lmp2foam_vec_;
     //delete& foam2lmp_vec_;
-    delete[] lmp2foam_;
+    lmp->memory->destroy(tmpI_);
-    delete[] lmp2foam_vec_;
+    lmp->memory->destroy(tmp_);
-    delete[] foam2lmp_vec_;
+    delete lmp2foam_;
-    //delete lmp;
+    delete lmp2foam_vec_;
+    delete foam2lmp_vec_;
+    delete lmp;
 }
 
 
@@ -191,21 +196,14 @@ void twoWayM2M::getData
     {
         double **tata_ = (double **) lammps_extract_atom(lmp,charName);
         lmp2foam_vec_->exchange(&(tata_[0][0]), &(field[0][0]));
-        //for (int i = 0; i < nlocal_foam_; i++)
-        //    Pout << "hihi getData: " << name <<"=" << field[i][0]<<","<<field[i][1]<<","<<field[i][2] <<endl;
-        //    Pout << name <<"=" << tata_[i][0]<<","<<tata_[i][1]<<","<<tata_[i][2] <<endl;
     }else if (name != "x"){
-        //if(nlocal_lammps_>0){
+        //tmp_ = (double *) lammps_extract_atom(lmp,charName); // funct nicht?
-            tmp_ = (double *) lammps_extract_atom(lmp,charName);
+        double *tmp_ = (double *) lammps_extract_atom(lmp,charName);
-        /*}else{
-            // might use the fct from dataExchangeModel mother class
-            tmp_=new double[1];
-            tmp_[0]=0;
-        }*/
 
+        //if(nlocal_lammps_>0)
+        //    for (int i = 0; i < nlocal_lammps_; i++)
+        //       Pout << couplingStep_ << "st tmp_[" << i << "]=" << tmp_[i] << "  -  "<<endl;
         lmp2foam_->exchange(tmp_, &(field[0][0]));
-        //for (int i = 0; i < nlocal_foam_; i++)
-        //    Pout << name <<"[0][i]=" << field[0][i] <<endl;
     }
 }
 
@@ -255,6 +253,8 @@ void twoWayM2M::giveData
     }
 }
 
+//============
+// double **
 void Foam::twoWayM2M::allocateArray
 (
     double**& array,
@@ -263,8 +263,11 @@ void Foam::twoWayM2M::allocateArray
     int length
 ) const
 {
-    //if(length==-1) then LIGGGHTS uses own length data
+    int len = max(length,1);
-    allocate_external_double(array, width,max(length,1),initVal,lmp);
+    lmp->memory->grow(array, len, width, "m2m:data");
+    for (int i = 0; i < len; i++)
+        for (int j = 0; j < width; j++)
+            array[i][j] = initVal;
 }
 
 void Foam::twoWayM2M::allocateArray
@@ -275,7 +278,11 @@ void Foam::twoWayM2M::allocateArray
     const char* length
 ) const
 {
-    allocate_external_double(array, width,max(particleCloud_.numberOfParticles(),1),initVal,lmp);
+    int len = max(particleCloud_.numberOfParticles(),1);
+    lmp->memory->grow(array, len, width, "m2m:data");
+    for (int i = 0; i < len; i++)
+        for (int j = 0; j < width; j++)
+            array[i][j] = initVal;
 }
 
 //============
@@ -288,8 +295,11 @@ void Foam::twoWayM2M::allocateArray
     int length
 ) const
 {
-    //if(length==-1) then LIGGGHTS uses own length data
+    int len = max(length,1);
-    allocate_external_int(array, width,max(length,1),initVal,lmp);
+    lmp->memory->grow(array, len, width, "m2m:data");
+    for (int i = 0; i < len; i++)
+        for (int j = 0; j < width; j++)
+            array[i][j] = initVal;
 }
 
 void Foam::twoWayM2M::allocateArray
@@ -300,9 +310,32 @@ void Foam::twoWayM2M::allocateArray
     const char* length
 ) const
 {
-    allocate_external_int(array, width,max(particleCloud_.numberOfParticles(),1),initVal,lmp);
+    int len = max(particleCloud_.numberOfParticles(),1);
+    lmp->memory->grow(array, len, width, "m2m:data");
+    for (int i = 0; i < len; i++)
+        for (int j = 0; j < width; j++)
+            array[i][j] = initVal;
 }
 //============
+// double *
+void Foam::twoWayM2M::allocateArray(double*& array, double initVal, int length) const
+{
+    int len = max(length,1);
+    lmp->memory->grow(array, len, "m2m:data");
+    for (int i = 0; i < len; i++)
+        array[i] = initVal;
+}
+//==============
+// int *
+void Foam::twoWayM2M::allocateArray(int*& array, int initVal, int length) const
+{
+    int len = max(length,1);
+    lmp->memory->grow(array, len, "m2m:data");
+    for (int i = 0; i < len; i++)
+        array[i] = initVal;
+}
+//==============
+
 
 bool Foam::twoWayM2M::couple() const
 {
@@ -381,48 +414,29 @@ void Foam::twoWayM2M::syncIDs() const
 
     // get data from lammps
     nlocal_lammps_ = *((int *) lammps_extract_global(lmp,"nlocal"));
-    int*  id_lammps_sync;
+    int*  id_lammps_sync=NULL;
-    double** pos_lammps_sync;
+    double** pos_lammps_sync=NULL;
     if(firstRun_)
     {
         // IDs for vectors
-        if(nlocal_lammps_>0){
+        id_lammps_ = (int *) lammps_extract_atom(lmp,"id");
-            id_lammps_ = (int *) lammps_extract_atom(lmp,"id");
-        }else{
-            // might use the fct from dataExchangeModel mother class
-            id_lammps_=new int[1];
-            id_lammps_[0]=0;
-        }
 
-        //delete [] id_lammps_vec_;
+        allocateArray(id_lammps_vec_,0,nlocal_lammps_*3);
-        Foam::dataExchangeModel::allocateArray(id_lammps_vec_,0,nlocal_lammps_*3);
         for (int i = 0; i < nlocal_lammps_; i++)
             for (int j=0;j<3;j++)
                 id_lammps_vec_[i*3+j] = id_lammps_[i]*3+j;
         
-        Foam::dataExchangeModel::allocateArray(pos_lammps_,-1.,3,nlocal_lammps_);  // do I need this???
+        pos_lammps_ = (double **) lammps_extract_atom(lmp,"x");         
-        if(nlocal_lammps_>0){
-            pos_lammps_ = (double **) lammps_extract_atom(lmp,"x"); 
-        }else{
-            // might use the fct from dataExchangeModel mother class
-            pos_lammps_ = new double*[1];
-            pos_lammps_[0] = new double [1];
-            pos_lammps_[0][0] = 0;
-        }              
     }
     else
     {
-       // re-arrange data using map
+        // re-arrange data using map
-        //Foam::dataExchangeModel::allocateArray(id_lammps_sync,-1.,nlocal_lammps_); // probably not necessary
+       
-        if(nlocal_lammps_>0){
+        // make a copy of id array
-            id_lammps_sync = (int *) lammps_extract_atom(lmp,"id");
+        id_lammps_sync = (int *) lammps_extract_atom(lmp,"id");
-        }else{
+
-            // might use the fct from dataExchangeModel mother class
+        // genereate vector IDs
-            id_lammps_sync=new int[1];
+        allocateArray(id_lammps_vec_,0,nlocal_lammps_*3);
-            id_lammps_sync[0]=10;
-        }
-        //extract_save(id_lammps_sync,"id"); // in future it should look like this!!!
-        Foam::dataExchangeModel::allocateArray(id_lammps_vec_,0,nlocal_lammps_*3);
         for (int i = 0; i < nlocal_lammps_; i++)
             for (int j=0;j<3;j++)
                 id_lammps_vec_[i*3+j] = id_lammps_sync[i]*3+j;
@@ -433,31 +447,18 @@ void Foam::twoWayM2M::syncIDs() const
         foam2lmp_vec_->setup(nlocal_foam_*3,id_foam_vec_,nlocal_lammps_*3,id_lammps_vec_);
 
         // map data according to last TS
-        Foam::dataExchangeModel::allocateArray(id_lammps_,0,nlocal_foam_);
+        allocateArray(tmpI_,-1.,nlocal_foam_);
-        lmp2foam_->exchange(id_lammps_sync, id_lammps_);
+        lmp2foam_->exchange(id_lammps_sync, tmpI_);
+        for(int i=0;i<nlocal_foam_;i++)
+            id_lammps_[i]=tmpI_[i];
 
-        if(nlocal_lammps_>0){
+        // get access to "x"
-            pos_lammps_sync = (double **) lammps_extract_atom(lmp,"x");
+        pos_lammps_sync = (double **) lammps_extract_atom(lmp,"x");
-        }else{
+        allocateArray(tmp_,-1.,nlocal_foam_*3);
-            // might use the fct from dataExchangeModel mother class
+        lmp2foam_vec_->exchange(pos_lammps_sync[0], tmp_);
-            pos_lammps_sync = new double*[1];
+        for(int i=0;i<nlocal_foam_;i++)
-            pos_lammps_sync[0] = new double [3];
+            for(int j=0;j<3;j++)
-            pos_lammps_sync[0][0] = 0;
+                pos_lammps_[i][j]=tmp_[i*3+j];
-            pos_lammps_sync[0][1] = 0;
-            pos_lammps_sync[0][2] = 0;
-        }
-        // find better solution here!!!
-        //Foam::dataExchangeModel::allocateArray(pos_lammps_,-1.,3,nlocal_foam_);
-        //lmp2foam_vec_->exchange(&(pos_lammps_sync[0][0]), &(pos_lammps_[0][0]));
-        double** gugu;
-        Foam::dataExchangeModel::allocateArray(gugu,-1.,3*nlocal_foam_,1);
-        Foam::dataExchangeModel::allocateArray(pos_lammps_,-1.,3,nlocal_foam_);
-        lmp2foam_vec_->exchange(&(pos_lammps_sync[0][0]), &(gugu[0][0]));
-
-        // conversion of array (should not be necessary if above problem is solved)
-        for (int i = 0; i < nlocal_foam_; i++)
-            for (int j = 0; j < 3; j++)
-                pos_lammps_[i][j]=gugu[0][i*3+j];
     }
     particleCloud_.clockM().stop("recv_DEM_ids");
 
@@ -465,17 +466,14 @@ void Foam::twoWayM2M::syncIDs() const
     locateParticle();
     particleCloud_.clockM().stop("locateParticle()");
 
-        //for (int i = 0; i < nlocal_lammps_; i++)
-        //    Pout << "getData3: " << "v" <<"=" << pos_lammps_[i][0]<<","<<pos_lammps_[i][1]<<","<<pos_lammps_[i][2] <<endl;
-
 //MPI_Barrier(MPI_COMM_WORLD);
 //Pout << couplingStep_ << "st == syncIDs  " << endl;
 //if(couplingStep_==30){
 //FatalError<<"stop!!!"<< abort(FatalError);
 //}
 
-        // output
+        /*// output
-        /*Info << "LAMMPS " << endl;
+        Info << "LAMMPS " << endl;
         for (int i = 0; i < nlocal_lammps_; i++)
         {
             if(firstRun_)
@@ -484,22 +482,25 @@ void Foam::twoWayM2M::syncIDs() const
             }else{
                 Pout << couplingStep_ << "st id_lammps_sync[" << i << "]=" << id_lammps_sync[i] << "  -  "<<endl;
             }
-        }*/
+        }
-        /*for (int i = 0; i < nlocal_lammps_*3; i++)
+        for (int i = 0; i < nlocal_lammps_*3; i++)
         {
             Pout << couplingStep_ << "st id_lammps_vec_[" << i << "]=" << id_lammps_vec_[i] << "  -  "<<endl;
-        }*/
+        }
-        /*Info << "FOAM "<< endl;
+        if (nlocal_foam_>0)
+            for (int i = 0; i < nlocal_foam_; i++)
+                Pout << couplingStep_ << "st pos:" <<"=" << pos_lammps_[i][0]<<","<<pos_lammps_[i][1]<<","<<pos_lammps_[i][2] <<endl;
+        Info << "FOAM "<< endl;
         for (int i = 0; i < nlocal_foam_; i++)
         {
             Pout << couplingStep_ << "st id_foam_[" << i << "]=" << id_foam_[i] << "  -  "<<endl;
-        }*/
+        }
-        /*for (int i = 0; i < nlocal_foam_*3; i++)
+        for (int i = 0; i < nlocal_foam_*3; i++)
         {
             Pout << couplingStep_ << "st id_foam_vec_[" << i << "]=" << id_foam_vec_[i] << "  -  "<<endl;
-        }*/
+        }
-        //Pout << couplingStep_ << "st nlocal_lammps_=" << nlocal_lammps_ << endl;
+        Pout << couplingStep_ << "st nlocal_lammps_=" << nlocal_lammps_ << endl;
-        //Pout << couplingStep_ << "st nlocal_foam_=" << nlocal_foam_ << endl;
+        Pout << couplingStep_ << "st nlocal_foam_=" << nlocal_foam_ << endl;*/
 
     // correct mapping
     particleCloud_.clockM().start(11,"setup_Comm");
@@ -532,36 +533,13 @@ void Foam::twoWayM2M::locateParticle() const
 {
     int nop = particleCloud_.numberOfParticles();
 
-    // realloc array of lost particles
+    // realloc array of lost particles     // these arrays will be too long, but we do not know their length a priori???
-    if (particleCloud_.numberOfParticlesChanged())
+    allocateArray(id_foam_lost_,0,nop);
-    {
+    allocateArray(lost_pos_,0.,nop*3);
-        // these arrays will be to long, but we do not know their length a priori
+    allocateArray(id_foam_,0,nop);
-        //delete[] id_foam_lost_;
+    allocateArray(id_foam_vec_,0,nop*3);
-        Foam::dataExchangeModel::allocateArray(id_foam_lost_,0,nop);
+    allocateArray(cellID_foam_,0,nop);
-
+    allocateArray(pos_foam_,0,nop*3);
-        //delete [] lost_pos_;
-        Foam::dataExchangeModel::allocateArray(lost_pos_,0.,nop*3);
-
-        //delete [] id_foam_;
-        Foam::dataExchangeModel::allocateArray(id_foam_,0,nop);
-
-        //delete [] id_foam_vec_;
-        Foam::dataExchangeModel::allocateArray(id_foam_vec_,0,nop*3);
-
-        //delete [] cellID_foam_;
-        Foam::dataExchangeModel::allocateArray(cellID_foam_,0,nop);
-        //delete [] pos_foam_;
-        Foam::dataExchangeModel::allocateArray(pos_foam_,0,nop*3);
-    }
-    else
-    {
-        // reset array to zero
-        for (int i=0; i<nop; i++)
-        {
-            id_foam_lost_[i] = 0;
-            for (int j=0; j<3; j++) lost_pos_[i*3+j] = 0.;
-        }
-    }
 
     // stage 1 - look on proc or send or prepare for all-to-all
     particleCloud_.clockM().start(7,"locate_Stage1");
@@ -695,7 +673,7 @@ void Foam::twoWayM2M::locateParticle() const
 
             forAll(recvParticleTransferID,i)
             {
-                //Pout << "received id="<<recvParticleTransferID[i] << "received pos="<<recvParticleTransferPos[i] << endl;
+                //Pout << couplingStep_ << " stage 2 received id="<<recvParticleTransferID[i] << "received pos="<<recvParticleTransferPos[i] << endl;
                 pos = recvParticleTransferPos[i];
                 cellID = particleCloud_.locateM().findSingleCell(pos,searchCellID);
         
@@ -717,6 +695,7 @@ void Foam::twoWayM2M::locateParticle() const
                     //id_foam_lost_all[i]=-1;
 
                     nlocal_foam_ += 1;
+                    //Pout << couplingStep_ << "st stage2 found particle at pos=" << pos << " ,id_foam_[i]=" << id_foam_[i] << endl;
                 }
                 else // might have been comm to wrong proc
                 {
@@ -743,8 +722,13 @@ void Foam::twoWayM2M::locateParticle() const
 
     if (nlocal_foam_lost_all > 0)
     {
-        //Info << "all-to-all necessary: nlocal_foam_lost_all=" << nlocal_foam_lost_all << endl;
+        Info << "all-to-all necessary: nlocal_foam_lost_all=" << nlocal_foam_lost_all << endl;
-        int nlocal_foam_lost_all = LAMMPS_NS::MPI_Allgather_Vector(lost_pos_, nlocal_foam_lost_*3, lost_pos_all, MPI_COMM_WORLD)/3;
+        /*if(lost_pos_all) 
+        { 
+           delete[] lost_pos_all;
+           lost_pos_all = NULL;
+        }*/
+        int nlocal_foam_lost_all = LAMMPS_NS::MPI_Allgather_Vector(lost_pos_, nlocal_foam_lost_*3, lost_pos_all, MPI_COMM_WORLD)/3; // new[] für lost_pos_all!!!
         LAMMPS_NS::MPI_Allgather_Vector(id_foam_lost_, nlocal_foam_lost_, id_foam_lost_all, MPI_COMM_WORLD);
         //Info << couplingStep_ << "st nlocal_foam_lost_all=" << nlocal_foam_lost_all << endl;
 
@@ -822,7 +806,7 @@ Info << "nlocal_lammps_ALL=" << gugu << endl;*/
 
     //delete[] id_foam_nowhere_all;
     //delete[] id_foam_lost_all;
-    //delete[] lost_pos_all;
+    //delete[] lost_pos_all; // gives invalid free() ...
 }
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

src/lagrangian/cfdemParticle/subModels/dataExchangeModel/twoWayM2M/twoWayM2M.H

@@ -101,6 +101,7 @@ private:
     mutable int *id_foam_;
     mutable int *id_foam_vec_;
     mutable double *tmp_;
+    mutable int *tmpI_;
     mutable double **pos_lammps_;
     mutable int nlocal_foam_lost_;
     mutable int *id_foam_lost_;
@@ -191,6 +192,15 @@ public:
         void allocateArray(int**&, int, int,const char* ="nparticles") const;
         //==============
 
+        //==============
+        // double *
+        void allocateArray(double*&, double, int) const;
+
+        //==============
+        // int *
+        void allocateArray(int*&, int, int) const;
+        //==============
+
         bool couple() const;
 
         int getNumberOfParticles() const;
@@ -198,6 +208,7 @@ public:
 
         void syncIDs() const;
         void locateParticle() const;
+        word myType() const{return typeName; };
 };
 
 

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

@@ -156,6 +156,8 @@ public:
 
         int getNumberOfParticles() const;
         int getNumberOfClumps() const;
+
+        word myType() const{return typeName; };
 };
 
 

tutorials/cfdemSolverIB/twoSpheresGlowinskiMPI/parCFDDEMrun.sh

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

tutorials/cfdemSolverPiso/ErgunTestMPI/CFD/constant/couplingProperties

@@ -32,15 +32,15 @@ couplingInterval 100;
 
 voidFractionModel divided;
 
-locateModel turboEngineM2M;//engine;//
+locateModel engine;//turboEngineM2M;//
 
 meshMotionModel noMeshMotion;
 
 regionModel allRegion;
 
-IOModel "off";
+IOModel "basicIO";
 
-dataExchangeModel twoWayM2M;//twoWayMPI;//twoWayFiles;//oneWayVTK;//
+dataExchangeModel twoWayMPI;//twoWayM2M;//twoWayFiles;//oneWayVTK;//
 
 averagingModel dense;//dilute;//
 

tutorials/cfdemSolverPiso/ErgunTestMPI/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="4"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off | prof
+debugMode="off"          # on | off| strictdebugMode="off"          # on | off| strict
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"
@@ -94,7 +94,7 @@ rm -r $casePath/DEM/post/*
 rm -r $casePath/DEM/log.*
 rm -r $casePath/DEM/liggghts.restartCFDEM*
 rm -r $casePath/CFD/probes
-rm -r $casePath/CFD/particles
+rm -r $casePath/CFD/lagrangian
 rm -r $casePath/CFD/clockData
 echo "done"
 

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/DEM/post/dummy

@@ -26,3 +26,4 @@ dummyfile
 dummyfile
 dummyfile
 dummyfile
+dummyfile

tutorials/cfdemSolverPiso/ErgunTestMPI_restart/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="2"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off | prof
+debugMode="off"          # on | off| strict
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 #--------------------------------------------------------------------------------#
 

tutorials/cfdemSolverPiso/settlingTestMPI/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPiso"
 nrProcs="2"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off | prof
+debugMode="off"          # on | off| strict
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"

tutorials/cfdemSolverPisoScalar/packedBedTemp/parCFDDEMrun.sh

@@ -21,7 +21,7 @@ logfileName="log_$headerText"
 solverName="cfdemSolverPisoScalar"
 nrProcs="2"
 machineFileName="none"   # yourMachinefileName | none
-debugMode="off"          # on | off | prof
+debugMode="off"          # on | off| strict
 testHarnessPath="$CFDEM_TEST_HARNESS_PATH"
 runOctave="true"
 postproc="false"