--- trunk/OOPSE/libmdtools/DumpWriter.cpp	2003/03/27 01:49:45	417
+++ trunk/OOPSE/libmdtools/DumpWriter.cpp	2003/03/27 15:07:29	419
@@ -65,7 +65,7 @@ void DumpWriter::writeDump( double currentTime ){
   char tempBuffer[BUFFERSIZE];
   char writeLine[BUFFERSIZE];
 
-  int i, j, which_node, done, game_over, which_atom;
+  int i, j, which_node, done, game_over, which_atom, local_index;
   double q[4];
   DirectionalAtom* dAtom;
   int nAtoms = entry_plug->n_atoms;
@@ -191,46 +191,55 @@ void DumpWriter::writeDump( double currentTime ){
     done = 0;
     while (!done) {
       MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, 
-                              TAKE_THIS_TAG, istatus);
-
+                           TAKE_THIS_TAG, istatus);
+      
       if (which_atom == -1) {
         done=1;
         continue;
       } else {
-
-        //format the line
-	sprintf( tempBuffer,
-		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
-		 atoms[which_atom]->getType(),
-		 atoms[which_atom]->getX(),
-		 atoms[which_atom]->getY(),
-		 atoms[which_atom]->getZ(),
-		 atoms[which_atom]->get_vx(),
-		 atoms[which_atom]->get_vy(),
-		 atoms[which_atom]->get_vz()); // check here.
-	strcpy( writeLine, tempBuffer );
+        local_index=-1;        
+        for (j=0; j < mpiSim->getMyNlocal(); j++) {
+          if (atoms[j]->getGlobalIndex() == which_atom) local_index = j;
+        }
+        if (local_index != -1) {
+          //format the line
+          sprintf( tempBuffer,
+                   "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
+                   atoms[local_index]->getType(),
+                   atoms[local_index]->getX(),
+                   atoms[local_index]->getY(),
+                   atoms[local_index]->getZ(),
+                   atoms[local_index]->get_vx(),
+                   atoms[local_index]->get_vy(),
+                   atoms[local_index]->get_vz()); // check here.
+          strcpy( writeLine, tempBuffer );
 	  
-	if( atoms[which_atom]->isDirectional() ){
-	    
-	  dAtom = (DirectionalAtom *)atoms[which_atom];
-	  dAtom->getQ( q );
-	    
-	  sprintf( tempBuffer,
-		   "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
-		   q[0],
-		   q[1],
-		   q[2],
-		   q[3],
-		   dAtom->getJx(),
-		   dAtom->getJy(),
-		   dAtom->getJz());
-	  strcat( writeLine, tempBuffer );
-	}
-	else
-	  strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
-        
-        MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
-                             TAKE_THIS_TAG);
+          if( atoms[local_index]->isDirectional() ){
+            
+            dAtom = (DirectionalAtom *)atoms[local_index];
+            dAtom->getQ( q );
+            
+            sprintf( tempBuffer,
+                     "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
+                     q[0],
+                     q[1],
+                     q[2],
+                     q[3],
+                     dAtom->getJx(),
+                     dAtom->getJy(),
+                     dAtom->getJz());
+            strcat( writeLine, tempBuffer );
+          }
+          else
+            strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
+          
+          MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
+                               TAKE_THIS_TAG);
+        } else {
+          strcpy( writeLine, "ATOM NOT FOUND ON THIS PROCESSOR");
+          MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
+                               TAKE_THIS_TAG);
+        }
       }
     }
   }  
@@ -254,7 +263,7 @@ void DumpWriter::writeFinal(){
   DirectionalAtom* dAtom;
   int nAtoms = entry_plug->n_atoms;
   Atom** atoms = entry_plug->atoms;
-  int i, j, which_node, done, game_over, which_atom;
+  int i, j, which_node, done, game_over, which_atom, local_index;
   
   
 #ifdef IS_MPI
@@ -407,42 +416,53 @@ void DumpWriter::writeFinal(){
         continue;
       } else {
 
-        //format the line
-	sprintf( tempBuffer,
-		 "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
-		 atoms[which_atom]->getType(),
-		 atoms[which_atom]->getX(),
-		 atoms[which_atom]->getY(),
-		 atoms[which_atom]->getZ(),
-		 atoms[which_atom]->get_vx(),
-		 atoms[which_atom]->get_vy(),
-		 atoms[which_atom]->get_vz()); // check here.
-	strcpy( writeLine, tempBuffer );
+        local_index=-1;        
+        for (j=0; j < mpiSim->getMyNlocal(); j++) {
+          if (atoms[j]->getGlobalIndex() == which_atom) local_index = j;
+        }
+        if (local_index != -1) {
+
+          //format the line
+          sprintf( tempBuffer,
+                   "%s\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t",
+                   atoms[local_index]->getType(),
+                   atoms[local_index]->getX(),
+                   atoms[local_index]->getY(),
+                   atoms[local_index]->getZ(),
+                   atoms[local_index]->get_vx(),
+                   atoms[local_index]->get_vy(),
+                   atoms[local_index]->get_vz()); // check here.
+          strcpy( writeLine, tempBuffer );
 	  
-	if( atoms[which_atom]->isDirectional() ){
+          if( atoms[local_index]->isDirectional() ){
+            
+            dAtom = (DirectionalAtom *)atoms[local_index];
+            dAtom->getQ( q );
 	    
-	  dAtom = (DirectionalAtom *)atoms[which_atom];
-	  dAtom->getQ( q );
-	    
-	  sprintf( tempBuffer,
-		   "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
-		   q[0],
-		   q[1],
-		   q[2],
-		   q[3],
-		   dAtom->getJx(),
-		   dAtom->getJy(),
-		   dAtom->getJz());
-	  strcat( writeLine, tempBuffer );
-	}
-	else
-	  strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
-        
-        MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
-                             TAKE_THIS_TAG);
+            sprintf( tempBuffer,
+                     "%lf\t%lf\t%lf\t%lf\t%lf\t%lf\t%lf\n",
+                     q[0],
+                     q[1],
+                     q[2],
+                     q[3],
+                     dAtom->getJx(),
+                     dAtom->getJy(),
+                     dAtom->getJz());
+            strcat( writeLine, tempBuffer );
+          }
+          else
+            strcat( writeLine, "0.0\t0.0\t0.0\t0.0\t0.0\t0.0\t0.0\n" );
+          
+          MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
+                               TAKE_THIS_TAG);
+        } else {
+          strcpy( writeLine, "ATOM NOT FOUND ON THIS PROCESSOR");
+          MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
+                               TAKE_THIS_TAG);
+        }
       }
     }
-  }  
+  }
   finalOut.flush();
   sprintf( checkPointMsg,
 	   "Sucessfully took a dump.\n");