--- trunk/OOPSE/libmdtools/InitializeFromFile.cpp	2004/04/22 03:29:30	1129
+++ trunk/OOPSE/libmdtools/InitializeFromFile.cpp	2004/06/11 17:16:21	1268
@@ -16,8 +16,8 @@
 #ifdef IS_MPI
 #include <mpi.h>
 #include "mpiSimulation.hpp"
-#define TAKE_THIS_TAG_CHAR 0
-#define TAKE_THIS_TAG_INT 1
+#define TAKE_THIS_TAG_CHAR 3134
+#define TAKE_THIS_TAG_INT 3135
 
 namespace initFile{
   void nodeZeroError( void );
@@ -220,6 +220,7 @@ void InitializeFromFile :: readInit( SimInfo* the_simn
 
     MPI_Bcast(read_buffer, BUFFERSIZE, MPI_CHAR, 0, MPI_COMM_WORLD);
 
+
     parseErr = parseCommentLine( read_buffer, simnfo);
 
     if( parseErr != NULL ){
@@ -228,7 +229,7 @@ void InitializeFromFile :: readInit( SimInfo* the_simn
       simError();
     }
 
-    for (i=0 ; i < mpiSim->getTotNmol(); i++) {
+    for (i=0 ; i < mpiSim->getNMolGlobal(); i++) {
       which_node = MolToProcMap[i];
       if(which_node == 0){
        //molecules belong to master node
@@ -268,8 +269,8 @@ void InitializeFromFile :: readInit( SimInfo* the_simn
 
         MPI_Recv(&nCurObj, 1, MPI_INT, which_node,
 	       TAKE_THIS_TAG_INT, MPI_COMM_WORLD, &istatus);
-      
-       for(j=0; j < integrableObjects.size(); j++){
+
+       for(j=0; j < nCurObj; j++){
         
           eof_test = fgets(read_buffer, sizeof(read_buffer), c_in_file);
           if(eof_test == NULL){
@@ -286,7 +287,7 @@ void InitializeFromFile :: readInit( SimInfo* the_simn
 
             MPI_Send(read_buffer, BUFFERSIZE, MPI_CHAR, which_node,
 		      TAKE_THIS_TAG_CHAR, MPI_COMM_WORLD);
-           
+
        }
 
       }
@@ -307,7 +308,7 @@ void InitializeFromFile :: readInit( SimInfo* the_simn
       simError();
     }
   
-    for (i=0 ; i < mpiSim->getTotNmol(); i++) {
+    for (i=0 ; i < mpiSim->getNMolGlobal(); i++) {
       which_node = MolToProcMap[i];
       
       if(which_node == worldRank){
@@ -517,6 +518,12 @@ char* InitializeFromFile::parseDumpLine(char* readLine
 
     qSqr = (q[0] * q[0]) + (q[1] * q[1]) + (q[2] * q[2]) + (q[3] * q[3]);
 
+    if (fabs(qSqr) < 1e-6) {
+      sprintf(painCave.errMsg,
+          "initial quaternion error (q0^2 + q1^2 + q2^2 + q3^2 ~ 0).\n");
+       return strdup(painCave.errMsg);
+    }
+    
     qLength = sqrt( qSqr );
     q[0] = q[0] / qLength;
     q[1] = q[1] / qLength;
@@ -648,7 +655,7 @@ void initFile::nodeZeroError( void ){
   int j, myStatus;
 
   myStatus = 0;
-  for (j = 0; j < mpiSim->getNumberProcessors(); j++) {
+  for (j = 0; j < mpiSim->getNProcessors(); j++) {
     MPI_Send( &myStatus, 1, MPI_INT, j,
 	      TAKE_THIS_TAG_INT, MPI_COMM_WORLD);
   }