--- trunk/OOPSE/libmdtools/DumpReader.cpp	2004/04/22 14:55:17	1130
+++ trunk/OOPSE/libmdtools/DumpReader.cpp	2004/06/11 17:16:21	1268
@@ -84,15 +84,10 @@ void DumpReader::scanFile( void ){
 
 void DumpReader::scanFile( void ){
 
-  int vectorSize;
-  int i, j, k;
+  int i, j;
   int lineNum = 0;
   char readBuffer[2000];
-  char* foo;
   fpos_t *currPos;
-  double time;
-
-
 
 #ifdef IS_MPI
   if( worldRank == 0 ){
@@ -176,7 +171,8 @@ void DumpReader :: readSet( int whichFrame ){
 
 void DumpReader :: readSet( int whichFrame ){
 
-   int i, j;
+  int i;
+  unsigned int j;
 
 #ifdef IS_MPI
   int done, which_node, which_atom; // loop counter
@@ -327,7 +323,7 @@ void DumpReader :: readSet( int whichFrame ){
       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
@@ -405,7 +401,7 @@ void DumpReader :: readSet( int whichFrame ){
       simError();
     }
   
-    for (i=0 ; i < mpiSim->getTotNmol(); i++) {
+    for (i=0 ; i < mpiSim->getNMolGlobal(); i++) {
       which_node = MolToProcMap[i];
       
       if(which_node == worldRank){
@@ -615,6 +611,12 @@ char* DumpReader::parseDumpLine(char* readLine, StuntD
     // check that the quaternion vector is normalized
 
     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;
@@ -744,7 +746,7 @@ void DumpReader::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);
   }
@@ -760,4 +762,4 @@ void DumpReader::anonymousNodeDie( void ){
   MPI_Finalize();
   exit (0);
 }
-#endif
\ No newline at end of file
+#endif