--- trunk/OOPSE/libmdtools/ZConsWriter.cpp	2003/08/15 19:24:13	699
+++ trunk/OOPSE/libmdtools/ZConsWriter.cpp	2003/10/28 16:20:28	830
@@ -18,21 +18,20 @@ ZConsWriter::ZConsWriter(const char* filename, vector<
    
    if(!output){
      sprintf( painCave.errMsg,
-              "Could not open \"s\" for z constrain output \n",
-	       filename);
+              "Could not open %s for z constrain output \n",
+         filename);
      painCave.isFatal = 1;
      simError();
    }
    output << "#number of z constrain molecules" << endl;
    output << "#global Index of molecule\tzPos" << endl;
-
-   parameters = thePara;
-	writeZPos();
-
+   output << "#every frame will contain below data" <<endl;
    output << "#time(fs)" << endl;
    output << "#number of fixed z-constrain molecules" << endl;
    output << "#global Index of molecule\tzconstrain force\tcurrentZPos" << endl;
 
+   parameters = thePara;
+   writeZPos();
 
 #ifdef IS_MPI
   }
@@ -52,18 +51,27 @@ ZConsWriter::~ZConsWriter()
 #endif
 }
 
-void ZConsWriter::writeFZ(double time, int num, int* index, double* fz, double* curZPos)
-{
+/**
+ *
+ */
+void ZConsWriter::writeFZ(double time, int num, int* index, double* fz, double* curZPos){
 
 #ifndef IS_MPI
   output << time << endl;
   output << num << endl;
-	
+  
   for(int i = 0; i < num; i++)
     output << index[i] <<"\t" << fz[i] << "\t" << curZPos[i] << endl;
 
 #else
-
+  int totalNum;
+  MPI_Allreduce(&num, &totalNum, 1, MPI_INT,MPI_SUM, MPI_COMM_WORLD); 
+  
+  if(worldRank == 0){
+    output << time << endl;
+    output << totalNum << endl;
+  }
+  
   int whichNode;
   enum CommType { RequesPosAndForce, EndOfRequest} status;
   double pos;
@@ -78,32 +86,32 @@ void ZConsWriter::writeFZ(double time, int num, int* i
     int *MolToProcMap;
     MolToProcMap = mpiSim->getMolToProcMap();
     
-    for(int i = 0; i < parameters->size(); i++){
+    for(int i = 0; i < (int)(parameters->size()); i++){
       
       globalIndexOfCurMol = (*parameters)[i].zconsIndex;
       whichNode = MolToProcMap[globalIndexOfCurMol];
       
       if(whichNode == 0){
         
-	     for(int j = 0; j < num; j++)
-	      if(index[j] == globalIndexOfCurMol){
-	        localIndex = j;
-	        break;
-	      }
+       for(int j = 0; j < num; j++)
+        if(index[j] == globalIndexOfCurMol){
+          localIndex = j;
+          break;
+        }
 
-			force = fz[localIndex];
-			pos = curZPos[localIndex];
-		  
+      force = fz[localIndex];
+      pos = curZPos[localIndex];
+      
       }
       else{
         status = RequesPosAndForce;
         MPI_Send(&status, 1, MPI_INT, whichNode, tag, MPI_COMM_WORLD);
-	     MPI_Send(&globalIndexOfCurMol, 1, MPI_INT, whichNode, tag, MPI_COMM_WORLD);
-        MPI_Recv(&force, 1, MPI_DOUBLE_PRECISION, whichNode, tag, MPI_COMM_WORLD, &ierr);
-        MPI_Recv(&pos, 1, MPI_DOUBLE_PRECISION, whichNode, tag, MPI_COMM_WORLD, &ierr);
+        MPI_Send(&globalIndexOfCurMol, 1, MPI_INT, whichNode, tag, MPI_COMM_WORLD);
+        MPI_Recv(&force, 1, MPI_DOUBLE, whichNode, tag, MPI_COMM_WORLD, &ierr);
+        MPI_Recv(&pos, 1, MPI_DOUBLE, whichNode, tag, MPI_COMM_WORLD, &ierr);
       }
 
-		output << globalIndexOfCurMol << "\t" << force << "\t" << pos << endl;
+     output << globalIndexOfCurMol << "\t" << force << "\t" << pos << endl;
               
     } //End of Request Loop
     
@@ -124,24 +132,24 @@ void ZConsWriter::writeFZ(double time, int num, int* i
     
       switch (status){
           
-        case RequesPosAndForce : 
+         case RequesPosAndForce : 
           
-	       MPI_Recv(&whichMol, 1, MPI_INT, 0, tag, MPI_COMM_WORLD,&ierr);
-	  
-   	       for(int i = 0; i < num; i++)
-	         if(index[i] == whichMol){
-	           localIndex = i;
-	           break;
-	         }
-	  
-	       MPI_Send(&fz[localIndex], 1, MPI_DOUBLE_PRECISION, 0, tag, MPI_COMM_WORLD);	  
-	       MPI_Send(&curZPos[localIndex], 1, MPI_DOUBLE_PRECISION, 0, tag, MPI_COMM_WORLD);	  	  
-	       break;
-	     
+           MPI_Recv(&whichMol, 1, MPI_INT, 0, tag, MPI_COMM_WORLD,&ierr);
+    
+           for(int i = 0; i < num; i++)
+           if(index[i] == whichMol){
+             localIndex = i;
+             break;
+           }
+    
+           MPI_Send(&fz[localIndex], 1, MPI_DOUBLE, 0, tag, MPI_COMM_WORLD);    
+           MPI_Send(&curZPos[localIndex], 1, MPI_DOUBLE, 0, tag, MPI_COMM_WORLD);       
+           break;
+       
         case EndOfRequest :
          
-	       done = true;
-	       break;
+         done = true;
+         break;
       }
       
     }
@@ -152,15 +160,18 @@ void ZConsWriter::writeFZ(double time, int num, int* i
 
 }
 
+/*
+ *
+ */
 void ZConsWriter::writeZPos(){
 
 #ifdef IS_MPI
   if(worldRank == 0){
 #endif
     
-     output << parameters->size() << endl;     
+    output << parameters->size() << endl;     
     
-    for(int i =0 ; i < parameters->size(); i++)
+    for(int i =0 ; i < (int)(parameters->size()); i++)
       output << (*parameters)[i].zconsIndex << "\t" <<  (*parameters)[i].zPos << endl;
 
 #ifdef IS_MPI