| 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 | 
  | 
 */ | 
| 75 | 
  | 
    if (worldRank == 0) {  | 
| 76 | 
  | 
#endif  | 
| 77 | 
  | 
       | 
| 78 | 
< | 
      inFile_ = new std::ifstream(filename_.c_str());  | 
| 78 | 
> | 
      inFile_ = new std::ifstream(filename_.c_str(),    | 
| 79 | 
> | 
                                  ifstream::in | ifstream::binary);  | 
| 80 | 
  | 
       | 
| 81 | 
  | 
      if (inFile_->fail()) {  | 
| 82 | 
  | 
        sprintf(painCave.errMsg,  | 
| 141 | 
  | 
      prevPos = currPos; | 
| 142 | 
  | 
      bool foundOpenSnapshotTag = false; | 
| 143 | 
  | 
      bool foundClosedSnapshotTag = false; | 
| 144 | 
< | 
      bool foundOpenSiteDataTag = false; | 
| 144 | 
> | 
 | 
| 145 | 
  | 
      while(inFile_->getline(buffer, bufferSize)) { | 
| 146 | 
  | 
        ++lineNo; | 
| 147 | 
  | 
         | 
| 202 | 
  | 
#ifdef IS_MPI  | 
| 203 | 
  | 
    }  | 
| 204 | 
  | 
      | 
| 205 | 
< | 
    MPI_Bcast(&nframes_, 1, MPI_INT, 0, MPI_COMM_WORLD);  | 
| 205 | 
> | 
    MPI::COMM_WORLD.Bcast(&nframes_, 1, MPI::INT, 0);  | 
| 206 | 
  | 
     | 
| 207 | 
  | 
#endif // is_mpi  | 
| 208 | 
  | 
     | 
| 288 | 
  | 
      } | 
| 289 | 
  | 
 | 
| 290 | 
  | 
      int sendBufferSize = sendBuffer.size(); | 
| 291 | 
< | 
      MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);      | 
| 292 | 
< | 
      MPI_Bcast((void *)sendBuffer.c_str(), sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);      | 
| 291 | 
> | 
      MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode);      | 
| 292 | 
> | 
      MPI::COMM_WORLD.Bcast((void *)sendBuffer.c_str(), sendBufferSize,  | 
| 293 | 
> | 
                            MPI::CHAR, masterNode);      | 
| 294 | 
  | 
       | 
| 295 | 
  | 
      sstream.str(sendBuffer); | 
| 296 | 
  | 
    } else { | 
| 297 | 
  | 
      int sendBufferSize; | 
| 298 | 
< | 
      MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD);      | 
| 298 | 
> | 
      MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); | 
| 299 | 
  | 
      char * recvBuffer = new char[sendBufferSize+1]; | 
| 300 | 
  | 
      assert(recvBuffer); | 
| 301 | 
  | 
      recvBuffer[sendBufferSize] = '\0'; | 
| 302 | 
< | 
      MPI_Bcast(recvBuffer, sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD);      | 
| 302 | 
> | 
      MPI::COMM_WORLD.Bcast(recvBuffer, sendBufferSize, MPI::CHAR, masterNode); | 
| 303 | 
  | 
      sstream.str(recvBuffer); | 
| 304 | 
  | 
      delete [] recvBuffer; | 
| 305 | 
  | 
    }       |