| 35 | 
  | 
 *                                                                       | 
| 36 | 
  | 
 * [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).              | 
| 37 | 
  | 
 * [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).           | 
| 38 | 
< | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).           | 
| 38 | 
> | 
 * [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 234107 (2008).           | 
| 39 | 
  | 
 * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 | 
  | 
 * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 | 
  | 
 */  | 
| 97 | 
  | 
       | 
| 98 | 
  | 
#ifdef IS_MPI  | 
| 99 | 
  | 
    } | 
| 100 | 
< | 
    MPI_Bcast(&framePos_, 1, MPI_INT, 0, MPI_COMM_WORLD);  | 
| 100 | 
> | 
    MPI::COMM_WORLD.Bcast(&framePos_, 1, MPI::INT, 0); | 
| 101 | 
  | 
#endif // is_mpi  | 
| 102 | 
  | 
  }  | 
| 103 | 
  | 
 | 
| 132 | 
  | 
      } | 
| 133 | 
  | 
       | 
| 134 | 
  | 
      int sendBufferSize = sendBuffer.size(); | 
| 135 | 
< | 
      MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);      | 
| 136 | 
< | 
      MPI_Bcast((void *)sendBuffer.c_str(), sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);      | 
| 135 | 
> | 
      MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); | 
| 136 | 
> | 
      MPI::COMM_WORLD.Bcast((void *)sendBuffer.c_str(), sendBufferSize,  | 
| 137 | 
> | 
                            MPI::CHAR, masterNode); | 
| 138 | 
  | 
       | 
| 139 | 
  | 
      sstream.str(sendBuffer); | 
| 140 | 
  | 
    } else { | 
| 141 | 
  | 
      int sendBufferSize; | 
| 142 | 
< | 
      MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);      | 
| 142 | 
> | 
      MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); | 
| 143 | 
  | 
      char * recvBuffer = new char[sendBufferSize+1]; | 
| 144 | 
  | 
      assert(recvBuffer); | 
| 145 | 
  | 
      recvBuffer[sendBufferSize] = '\0'; | 
| 146 | 
< | 
      MPI_Bcast(recvBuffer, sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);      | 
| 146 | 
> | 
      MPI::COMM_WORLD.Bcast(recvBuffer, sendBufferSize, MPI::CHAR, masterNode); | 
| 147 | 
  | 
      sstream.str(recvBuffer); | 
| 148 | 
  | 
      delete [] recvBuffer; | 
| 149 | 
  | 
    }       |