| 27 | 
  | 
  if(worldRank == 0 ){ | 
| 28 | 
  | 
#endif // is_mpi | 
| 29 | 
  | 
     | 
| 30 | 
– | 
  | 
| 31 | 
– | 
     | 
| 30 | 
  | 
    strcpy( outName, entry_plug->sampleName ); | 
| 31 | 
  | 
     | 
| 32 | 
  | 
    outFile.open(outName, ios::out | ios::trunc ); | 
| 39 | 
  | 
      painCave.isFatal = 1; | 
| 40 | 
  | 
      simError(); | 
| 41 | 
  | 
    } | 
| 42 | 
< | 
   | 
| 42 | 
> | 
 | 
| 43 | 
  | 
    //outFile.setf( ios::scientific ); | 
| 44 | 
  | 
 | 
| 45 | 
  | 
#ifdef IS_MPI | 
| 70 | 
  | 
  char tempBuffer[BUFFERSIZE]; | 
| 71 | 
  | 
  char writeLine[BUFFERSIZE]; | 
| 72 | 
  | 
 | 
| 73 | 
< | 
  int i, j, which_node, done, game_over, which_atom, local_index; | 
| 73 | 
> | 
  int i, j, which_node, done, which_atom, local_index; | 
| 74 | 
  | 
  double q[4]; | 
| 75 | 
  | 
  DirectionalAtom* dAtom; | 
| 76 | 
  | 
  int nAtoms = entry_plug->n_atoms; |