--- trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/03/27 23:33:40	432
+++ trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/03/28 19:30:59	434
@@ -85,7 +85,7 @@ int* mpiSimulation::divideLabor( void ){
 
   myRandom = new randomSPRNG( baseSeed );
 
-  a = (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal;
+  a = 3.0 * (double)mpiPlug->nMolGlobal / (double)mpiPlug->nAtomsGlobal;
 
   // Initialize things that we'll send out later:
   for (i = 0; i < mpiPlug->numberProcessors; i++ ) {
@@ -136,9 +136,6 @@ int* mpiSimulation::divideLabor( void ){
         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 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. 
@@ -161,8 +158,6 @@ int* mpiSimulation::divideLabor( void ){
           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:
@@ -179,18 +174,18 @@ int* mpiSimulation::divideLabor( void ){
         }
 
 
-        // 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
+        // The only situation left is when new_atoms > nTarget.  We
+        // want to accept this with some probability that dies off the
+        // farther we are from nTarget
 
         // roughly:  x = new_atoms - nTarget
         //           Pacc(x) = exp(- a * x)
-        // where a = 1 / (average atoms per molecule)
+        // where a = penalty / (average atoms per molecule)
 
         x = (double) (new_atoms - nTarget);
         y = myRandom->getRandom();
-        
-        if (exp(- a * x) > y) {
+      
+        if (y < exp(- a * x)) {
           MolToProcMap[i] = which_proc;
           AtomsPerProc[which_proc] += add_atoms;
           for (j = 0 ; j < add_atoms; j++ ) {
@@ -255,8 +250,6 @@ 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);