--- trunk/mdtools/mpi_implementation/mpiSimulation.cpp	2002/12/05 18:53:40	195
+++ trunk/mdtools/mpi_implementation/mpiSimulation.cpp	2002/12/10 21:41:26	202
@@ -26,8 +26,12 @@ mpiSimulation::~mpiSimulation(){
 }
 
 
-void mpiSimulation::divideLabor(int nComponents, MoleculeStamp** compStamps, int* componentsNmol ){
-  
+void mpiSimulation::divideLabor( void ){
+
+  int nComponents;
+  MoleculeStamp** compStamps;
+  int* componentsNmol;
+
   double numerator;
   double denominator;
   double precast;
@@ -35,12 +39,23 @@ void mpiSimulation::divideLabor(int nComponents, Molec
   int nTarget;
   int molIndex, atomIndex, compIndex, compStart;
   int done;
-  int nLocal;
+  int nLocal, molLocal;
   int i;
   int smallDiff, bigDiff;
 
   int testSum;
 
+  nComponents = entryPlug->nComponents;
+  compStamps = entryPlug->compStamps;
+  componentsNmol = entryPlug->componentsNmol;
+
+  simTotAtoms = entryPlug->n_atoms;
+  simTotBonds = entryPlug->n_bonds;
+  simTotBends = entryPlug->n_bends;
+  simTotTorsions = entryPlug->n_torsions;
+  simTotSRI = entryPlug->n_SRI;
+  simTotNmol = entryPlug->n_nmol;
+
   numerator = (double) entryPlug->n_atoms;
   denominator = (double) numberProcessors;
   precast = numerator / denominator;
@@ -54,6 +69,7 @@ void mpiSimulation::divideLabor(int nComponents, Molec
     
     done = 0;
     nLocal = 0;
+    molLocal = 0;
 
     if( i == myNode ){
       myMolStart = molIndex;
@@ -71,6 +87,7 @@ void mpiSimulation::divideLabor(int nComponents, Molec
       nLocal += compStamps[compIndex]->getNAtoms();
       atomIndex += compStamps[compIndex]->getNAtoms();
       molIndex++;
+      molLocal++;
       
       if ( nLocal == nTarget ) done = 1;
       
@@ -83,6 +100,7 @@ void mpiSimulation::divideLabor(int nComponents, Molec
 	if( bigDiff < smallDiff ) done = 1;
 	else{
 	  molIndex--;
+	  molLocal--;
 	  atomIndex -= compStamps[compIndex]->getNAtoms();
 	  nLocal -= compStamps[compIndex]->getNAtoms();
 	  done = 1;
@@ -94,6 +112,7 @@ void mpiSimulation::divideLabor(int nComponents, Molec
       myMolEnd = (molIndex - 1);
       myAtomEnd = (atomIndex - 1);
       myNlocal = nLocal;
+      myMol = molLocal;
     }
     
     numerator = (double)( entryPlug->n_atoms - atomIndex );
@@ -107,6 +126,7 @@ void mpiSimulation::divideLabor(int nComponents, Molec
       myAtomStart = atomIndex;
 
       nLocal = 0;
+      molLocal = 0;
       while( compIndex < nComponents ){
 	
 	if( (molIndex-compStart) >= componentsNmol[compIndex] ){
@@ -118,11 +138,13 @@ void mpiSimulation::divideLabor(int nComponents, Molec
 	nLocal += compStamps[compIndex]->getNAtoms();
 	atomIndex += compStamps[compIndex]->getNAtoms();
 	molIndex++;
+	molLocal++;
       }
       
       myMolEnd = (molIndex - 1);
       myAtomEnd = (atomIndex - 1);
-      myNlocal = nLocal;   
+      myNlocal = nLocal;  
+      myMol = molLocal;
   }
 
 
@@ -141,4 +163,6 @@ void mpiSimulation::divideLabor(int nComponents, Molec
   sprintf( checkPointMsg,
 	   "Successfully divided the molecules among the processors.\n" );
   MPIcheckPoint();
+
+  // lets create the identity array
 }