--- trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/03/28 19:30:59	434
+++ trunk/OOPSE/libmdtools/mpiSimulation.cpp	2003/04/03 20:21:54	447
@@ -4,7 +4,6 @@
 #include <cstring>
 #include <cmath>
 #include <mpi.h>
-#include <mpi++.h>
 
 #include "mpiSimulation.hpp"
 #include "simError.h"
@@ -20,7 +19,7 @@ mpiSimulation::mpiSimulation(SimInfo* the_entryPlug)
   entryPlug = the_entryPlug;
   mpiPlug = new mpiSimData;
   
-  mpiPlug->numberProcessors = MPI::COMM_WORLD.Get_size();
+  MPI_Comm_size(MPI_COMM_WORLD, &(mpiPlug->numberProcessors) );
   mpiPlug->myNode = worldRank;
 
   MolToProcMap = new int[entryPlug->n_mol];
@@ -203,32 +202,32 @@ int* mpiSimulation::divideLabor( void ){
 
     // Spray out this nonsense to all other processors:
 
-    MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, 
-                          MPI_INT, 0);
+    MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal, 
+	      MPI_INT, 0, MPI_COMM_WORLD);
 
-    MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, 
-                          MPI_INT, 0);
+    MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, 
+	      MPI_INT, 0, MPI_COMM_WORLD);
 
-    MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, 
-                          MPI_INT, 0);
+    MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal, 
+	      MPI_INT, 0, MPI_COMM_WORLD);
 
-    MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors,
-                          MPI_INT, 0);    
+    MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors,
+	      MPI_INT, 0, MPI_COMM_WORLD);    
   } else {
 
     // Listen to your marching orders from processor 0:
     
-    MPI::COMM_WORLD.Bcast(MolToProcMap, mpiPlug->nMolGlobal, 
-                          MPI_INT, 0);
-    
-    MPI::COMM_WORLD.Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, 
-                          MPI_INT, 0);
+    MPI_Bcast(MolToProcMap, mpiPlug->nMolGlobal, 
+	      MPI_INT, 0, MPI_COMM_WORLD);
+    
+    MPI_Bcast(AtomToProcMap, mpiPlug->nAtomsGlobal, 
+	      MPI_INT, 0, MPI_COMM_WORLD);
 
-    MPI::COMM_WORLD.Bcast(MolComponentType, mpiPlug->nMolGlobal, 
-                          MPI_INT, 0);
+    MPI_Bcast(MolComponentType, mpiPlug->nMolGlobal, 
+	      MPI_INT, 0, MPI_COMM_WORLD);
     
-    MPI::COMM_WORLD.Bcast(AtomsPerProc, mpiPlug->numberProcessors,
-                          MPI_INT, 0);
+    MPI_Bcast(AtomsPerProc, mpiPlug->numberProcessors,
+	      MPI_INT, 0, MPI_COMM_WORLD);
 
 
   }
@@ -250,8 +249,10 @@ int* mpiSimulation::divideLabor( void ){
     }
   }
 
-  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);
+  MPI_Allreduce(&nmol_local,&nmol_global,1,MPI_INT,MPI_SUM, 
+		MPI_COMM_WORLD);
+  MPI_Allreduce(&natoms_local,&natoms_global,1,MPI_INT,
+		MPI_SUM, MPI_COMM_WORLD);
   
   if( nmol_global != entryPlug->n_mol ){
     sprintf( painCave.errMsg,
@@ -296,8 +297,11 @@ void mpiSimulation::mpiRefresh( void ){
   int isError, i;
   int *globalIndex = new int[mpiPlug->myNlocal];
 
-  for(i=0; i<mpiPlug->myNlocal; i++) globalIndex[i] = entryPlug->atoms[i]->getGlobalIndex();
+  // Fortran indexing needs to be increased by 1 in order to get the 2 languages to
+  // not barf
 
+  for(i=0; i<mpiPlug->myNlocal; i++) globalIndex[i] = entryPlug->atoms[i]->getGlobalIndex()+1;
+
   
   isError = 0;
   setFsimParallel( mpiPlug, &(entryPlug->n_atoms), globalIndex, &isError );