--- trunk/src/io/ZConsWriter.cpp	2010/05/10 17:28:26	1442
+++ trunk/src/io/ZConsWriter.cpp	2014/04/14 18:32:51	1981
@@ -35,20 +35,21 @@
  *                                                                      
  * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).             
  * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).          
- * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).          
- * [4]  Vardeman & Gezelter, in progress (2009).                        
+ * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).          
+ * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
+ * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
  */
  
+#ifdef IS_MPI
+#include <mpi.h>
+#endif
+
 #include <algorithm>
 #include <iostream>
 #include <vector>
 
-
 #include "io/ZConsWriter.hpp"
 #include "utils/simError.h"
-#ifdef IS_MPI
-#include <mpi.h>
-#endif
 
 namespace OpenMD {
   ZConsWriter::ZConsWriter(SimInfo* info, const std::string& filename) : info_(info) {
@@ -98,23 +99,27 @@ namespace OpenMD {
       output_ << i->mol->getGlobalIndex() <<"\t" << i->fz << "\t" << i->zpos << "\t" << i->param.zTargetPos <<std::endl;
     }
 #else
-    int nproc;
-    MPI_Comm_size(MPI_COMM_WORLD, &nproc);
+   
     const int masterNode = 0;
-    int myNode = worldRank;
+    int nproc;
+    int myNode;      
+    MPI_Comm_size( MPI_COMM_WORLD, &nproc);
+    MPI_Comm_rank( MPI_COMM_WORLD, &myNode);
+
     std::vector<int> tmpNFixedZmols(nproc, 0);
     std::vector<int> nFixedZmolsInProc(nproc, 0);
     tmpNFixedZmols[myNode] = fixedZmols.size();
     
-    //do MPI_ALLREDUCE to exchange the total number of atoms, rigidbodies and cutoff groups
-    MPI_Allreduce(&tmpNFixedZmols[0], &nFixedZmolsInProc[0], nproc, MPI_INT,
-                  MPI_SUM, MPI_COMM_WORLD);
+    //do MPI_ALLREDUCE to exchange the total number of atoms,
+    //rigidbodies and cutoff groups
+    MPI_Allreduce(&tmpNFixedZmols[0], &nFixedZmolsInProc[0], 
+                  nproc, MPI_INT, MPI_SUM, MPI_COMM_WORLD);
 
-    MPI_Status ierr;
+    MPI_Status* ierr;
     int zmolIndex;
     RealType data[3];
     
-    if (masterNode == 0) {
+    if (myNode == masterNode) {
 
       std::vector<ZconsData> zconsData;
       ZconsData tmpData;       
@@ -131,8 +136,8 @@ namespace OpenMD {
 
 	} else {
 	  for(int k =0 ; k < nFixedZmolsInProc[i]; ++k) {
-	    MPI_Recv(&zmolIndex, 1, MPI_INT, i, 0, MPI_COMM_WORLD,&ierr);
-	    MPI_Recv(data, 3, MPI_REALTYPE, i, 0, MPI_COMM_WORLD,&ierr);
+            MPI_Recv(&zmolIndex, 1, MPI_INT, i, 0, MPI_COMM_WORLD, ierr);
+            MPI_Recv(data, 3, MPI_REALTYPE, i, 0, MPI_COMM_WORLD, ierr);
 	    tmpData.zmolIndex = zmolIndex;
 	    tmpData.zforce= data[0];
 	    tmpData.zpos = data[1];
@@ -160,8 +165,8 @@ namespace OpenMD {
 	data[0] = j->fz;
 	data[1] = j->zpos;
 	data[2] = j->param.zTargetPos;
-	MPI_Send(&zmolIndex, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
-	MPI_Send(data, 3, MPI_REALTYPE, masterNode, 0, MPI_COMM_WORLD);
+        MPI_Send(&zmolIndex, 1, MPI_INT, masterNode, 0, MPI_COMM_WORLD);
+        MPI_Send(data, 3, MPI_REALTYPE, masterNode, 0, MPI_COMM_WORLD);
             
       }
     }