--- trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/03/27 15:07:29	419
+++ trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/03/27 23:33:40	432
@@ -1,5 +1,5 @@
 #ifdef IS_MPI
-
+#include <iostream>
 #include <cstdlib>
 #include <cstring>
 #include <cmath>
@@ -133,29 +133,12 @@ int* mpiSimulation::divideLabor( void ){
         // How many atoms does this processor have?
         
         old_atoms = AtomsPerProc[which_proc];
+        add_atoms = compStamps[MolComponentType[i]]->getNAtoms();
+        new_atoms = old_atoms + add_atoms;
 
         // If the processor already had too many atoms, just skip this
         // processor and try again.
 
-        if (old_atoms >= nTarget) continue;
-
-        add_atoms = compStamps[MolComponentType[i]]->getNAtoms();
-        new_atoms = old_atoms + add_atoms;
-    
-        // If we can add this molecule to this processor without sending
-        // it above nTarget, then go ahead and do it:
-    
-        if (new_atoms <= nTarget) {
-          MolToProcMap[i] = which_proc;
-          AtomsPerProc[which_proc] += add_atoms;
-          for (j = 0 ; j < add_atoms; j++ ) {
-            atomIndex++;
-            AtomToProcMap[atomIndex] = which_proc;
-          }
-          done = 1;
-          continue;
-        }
-
         // If we've been through this loop too many times, we need
         // to just give up and assign the molecule to this processor
         // and be done with it. 
@@ -172,13 +155,30 @@ int* mpiSimulation::divideLabor( void ){
           MolToProcMap[i] = which_proc;
           AtomsPerProc[which_proc] += add_atoms;
           for (j = 0 ; j < add_atoms; j++ ) {
-            atomIndex++;
-            AtomToProcMap[atomIndex] = which_proc;
+	    AtomToProcMap[atomIndex] = which_proc;
+	    atomIndex++;
+          }
+          done = 1;
+          continue;
+        }
+
+        if (old_atoms >= nTarget) continue;
+    
+        // If we can add this molecule to this processor without sending
+        // it above nTarget, then go ahead and do it:
+    
+        if (new_atoms <= nTarget) {
+          MolToProcMap[i] = which_proc;
+          AtomsPerProc[which_proc] += add_atoms;
+          for (j = 0 ; j < add_atoms; j++ ) {
+	    AtomToProcMap[atomIndex] = which_proc;
+	    atomIndex++;
           }
           done = 1;
           continue;
         }
 
+
         // The only situation left is where old_atoms < nTarget, but
         // new_atoms > nTarget.   We want to accept this with some
         // probability that dies off the farther we are from nTarget
@@ -194,9 +194,9 @@ int* mpiSimulation::divideLabor( void ){
           MolToProcMap[i] = which_proc;
           AtomsPerProc[which_proc] += add_atoms;
           for (j = 0 ; j < add_atoms; j++ ) {
-            atomIndex++;
-            AtomToProcMap[atomIndex] = which_proc;
-          }
+	    AtomToProcMap[atomIndex] = which_proc;
+	    atomIndex++;
+           }
           done = 1;
           continue;
         } else {
@@ -234,6 +234,8 @@ int* mpiSimulation::divideLabor( void ){
     
     MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors,
                           MPI_INT, 0);
+
+
   }
 
 
@@ -253,6 +255,8 @@ int* mpiSimulation::divideLabor( void ){
     }
   }
 
+  std::cerr << "proc = " << mpiPlug->myNode << " atoms = " << natoms_local << "\n";
+
   MPI::COMM_WORLD.Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM);
   MPI::COMM_WORLD.Allreduce(&natoms_local,&natoms_global,1,MPI_INT,MPI_SUM);
   
@@ -285,11 +289,11 @@ int* mpiSimulation::divideLabor( void ){
   local_index = 0;
   for (i = 0; i < mpiPlug->nAtomsGlobal; i++) {
     if (AtomToProcMap[i] == mpiPlug->myNode) {
-      local_index++;
       globalIndex[local_index] = i;
+      local_index++;
     }
   }
- 
+  
   return globalIndex;
 }