--- trunk/OOPSE/libmdtools/DumpWriter.cpp	2003/04/01 16:49:17	440
+++ trunk/OOPSE/libmdtools/DumpWriter.cpp	2003/04/03 20:21:54	447
@@ -4,7 +4,6 @@
 
 #ifdef IS_MPI
 #include <mpi.h>
-#include <mpi++.h>
 #include "mpiSimulation.hpp"
 #define TAKE_THIS_TAG_CHAR 1
 #define TAKE_THIS_TAG_INT 2
@@ -134,7 +133,7 @@ void DumpWriter::writeDump( double currentTime ){
   int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone
   int haveError;
 
-  MPI::Status istatus;
+  MPI_Status istatus;
   int *AtomToProcMap = mpiSim->getAtomToProcMap();
   
   // write out header and node 0's coordinates
@@ -206,13 +205,14 @@ void DumpWriter::writeDump( double currentTime ){
       }
       else {
 	myStatus = 1;
-	MPI::COMM_WORLD.Send(&myStatus, 1, MPI_INT, which_node, 
-                             TAKE_THIS_TAG_INT);
-        MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT);
-        MPI::COMM_WORLD.Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node,
-			     TAKE_THIS_TAG_CHAR, istatus);
-        MPI::COMM_WORLD.Recv(&myStatus, 1, MPI_INT, which_node, 
-			     TAKE_THIS_TAG_INT, istatus);
+	MPI_Send(&myStatus, 1, MPI_INT, which_node, 
+		 TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
+        MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT, 
+		 MPI_COMM_WORLD);
+        MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node,
+		 TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus);
+        MPI_Recv(&myStatus, 1, MPI_INT, which_node, 
+		 TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
 	
 	if(!myStatus) nodeZeroError();
 
@@ -225,8 +225,8 @@ void DumpWriter::writeDump( double currentTime ){
     // kill everyone off:
     myStatus = -1;
     for (j = 0; j < mpiSim->getNumberProcessors(); j++) {      
-      MPI::COMM_WORLD.Send(&myStatus, 1, MPI_INT, j, 
-			   TAKE_THIS_TAG_INT);
+      MPI_Send(&myStatus, 1, MPI_INT, j, 
+	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
     }
 
   } else {
@@ -234,15 +234,15 @@ void DumpWriter::writeDump( double currentTime ){
     done = 0;
     while (!done) {
       
-      MPI::COMM_WORLD.Recv(&myStatus, 1, MPI_INT, 0, 
-                           TAKE_THIS_TAG_INT, istatus);
+      MPI_Recv(&myStatus, 1, MPI_INT, 0, 
+	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
 
       if(!myStatus) anonymousNodeDie();
       
       if(myStatus < 0) break;
 
-      MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, 
-                           TAKE_THIS_TAG_INT, istatus);
+      MPI_Recv(&which_atom, 1, MPI_INT, 0, 
+	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
       
       myStatus = 1;
       local_index=-1;        
@@ -292,10 +292,10 @@ void DumpWriter::writeDump( double currentTime ){
 	strcpy( writeLine, "Hello, I'm an error.\n");
       }
 
-      MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
-			   TAKE_THIS_TAG_CHAR);
-      MPI::COMM_WORLD.Send( &myStatus, 1, MPI_INT, 0, 
-			    TAKE_THIS_TAG_INT);
+      MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
+	       TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD);
+      MPI_Send( &myStatus, 1, MPI_INT, 0, 
+		TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
     }
   }  
   outFile.flush();
@@ -404,7 +404,7 @@ void DumpWriter::writeFinal(){
   int myStatus; // 1 = wakeup & success; 0 = error; -1 = AllDone
   int haveError;
 
-  MPI::Status istatus;
+  MPI_Status istatus;
   int *AtomToProcMap = mpiSim->getAtomToProcMap();
 
   // write out header and node 0's coordinates
@@ -474,13 +474,14 @@ void DumpWriter::writeFinal(){
       else {
         
 	myStatus = 1;
-	MPI::COMM_WORLD.Send(&myStatus, 1, MPI_INT, which_node, 
-                             TAKE_THIS_TAG_INT);
-        MPI::COMM_WORLD.Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT);
-        MPI::COMM_WORLD.Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node,
-			     TAKE_THIS_TAG_CHAR, istatus);
-        MPI::COMM_WORLD.Recv(&myStatus, 1, MPI_INT, which_node, 
-			     TAKE_THIS_TAG_INT, istatus);
+	MPI_Send(&myStatus, 1, MPI_INT, which_node, 
+		 TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
+        MPI_Send(&i, 1, MPI_INT, which_node, TAKE_THIS_TAG_INT,
+		 MPI_COMM_WORLD);
+        MPI_Recv(writeLine, BUFFERSIZE, MPI_CHAR, which_node,
+		 TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD, &istatus);
+        MPI_Recv(&myStatus, 1, MPI_INT, which_node, 
+		 TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
 	
 	if(!myStatus) nodeZeroError();
       }
@@ -491,8 +492,8 @@ void DumpWriter::writeFinal(){
     // kill everyone off:
     myStatus = -1;
     for (j = 0; j < mpiSim->getNumberProcessors(); j++) {      
-      MPI::COMM_WORLD.Send(&myStatus, 1, MPI_INT, j, 
-			   TAKE_THIS_TAG_INT);
+      MPI_Send(&myStatus, 1, MPI_INT, j, 
+	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
     }
 
   } else {
@@ -500,15 +501,15 @@ void DumpWriter::writeFinal(){
     done = 0;
     while (!done) {
 
-      MPI::COMM_WORLD.Recv(&myStatus, 1, MPI_INT, 0, 
-                           TAKE_THIS_TAG_INT, istatus);
+      MPI_Recv(&myStatus, 1, MPI_INT, 0, 
+	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
       
       if(!myStatus) anonymousNodeDie();
       
       if(myStatus < 0) break;
       
-      MPI::COMM_WORLD.Recv(&which_atom, 1, MPI_INT, 0, 
-                           TAKE_THIS_TAG_INT, istatus);
+      MPI_Recv(&which_atom, 1, MPI_INT, 0, 
+	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
       
       myStatus = 1;
       local_index=-1;        
@@ -559,10 +560,10 @@ void DumpWriter::writeFinal(){
 	strcpy( writeLine, "Hello, I'm an error.\n");
       }
 
-      MPI::COMM_WORLD.Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
-			   TAKE_THIS_TAG_CHAR);
-      MPI::COMM_WORLD.Send( &myStatus, 1, MPI_INT, 0, 
-			    TAKE_THIS_TAG_INT);
+      MPI_Send(writeLine, BUFFERSIZE, MPI_CHAR, 0, 
+	       TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD);
+      MPI_Send( &myStatus, 1, MPI_INT, 0, 
+		TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
     }
   }
   finalOut.flush();
@@ -585,8 +586,8 @@ void dWrite::nodeZeroError( void ){
   
   myStatus = 0;
   for (j = 0; j < mpiSim->getNumberProcessors(); j++) {      
-    MPI::COMM_WORLD.Send( &myStatus, 1, MPI_INT, j, 
-			  TAKE_THIS_TAG_INT);
+    MPI_Send( &myStatus, 1, MPI_INT, j, 
+	      TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
   }