| 43 |  | #define _LARGEFILE_SOURCE64 | 
| 44 |  | #define _FILE_OFFSET_BITS 64 | 
| 45 |  |  | 
| 46 | + | #ifdef IS_MPI | 
| 47 | + | #include <mpi.h> | 
| 48 | + | #endif | 
| 49 | + |  | 
| 50 |  | #include <sys/types.h> | 
| 51 |  | #include <sys/stat.h> | 
| 52 |  |  | 
| 63 |  | #include "utils/MemoryUtils.hpp" | 
| 64 |  | #include "utils/StringTokenizer.hpp" | 
| 65 |  | #include "brains/Thermo.hpp" | 
| 62 | – |  | 
| 63 | – | #ifdef IS_MPI | 
| 64 | – | #include <mpi.h> | 
| 65 | – | #endif | 
| 66 |  |  | 
| 67 |  |  | 
| 68 |  | namespace OpenMD { | 
| 203 |  | #ifdef IS_MPI | 
| 204 |  | } | 
| 205 |  |  | 
| 206 | < | MPI::COMM_WORLD.Bcast(&nframes_, 1, MPI::INT, 0); | 
| 206 | > | MPI_Bcast(&nframes_, 1, MPI_INT, 0, MPI_COMM_WORLD); | 
| 207 |  |  | 
| 208 |  | #endif // is_mpi | 
| 209 |  |  | 
| 289 |  | } | 
| 290 |  |  | 
| 291 |  | int sendBufferSize = sendBuffer.size(); | 
| 292 | < | MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); | 
| 293 | < | MPI::COMM_WORLD.Bcast((void *)sendBuffer.c_str(), sendBufferSize, | 
| 294 | < | MPI::CHAR, masterNode); | 
| 292 | > | MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD); | 
| 293 | > | MPI_Bcast((void *)sendBuffer.c_str(), sendBufferSize, | 
| 294 | > | MPI_CHAR, masterNode, MPI_COMM_WORLD); | 
| 295 |  |  | 
| 296 |  | sstream.str(sendBuffer); | 
| 297 |  | } else { | 
| 298 |  | int sendBufferSize; | 
| 299 | < | MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); | 
| 299 | > | MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD); | 
| 300 |  | char * recvBuffer = new char[sendBufferSize+1]; | 
| 301 |  | assert(recvBuffer); | 
| 302 |  | recvBuffer[sendBufferSize] = '\0'; | 
| 303 | < | MPI::COMM_WORLD.Bcast(recvBuffer, sendBufferSize, MPI::CHAR, masterNode); | 
| 303 | > | MPI_Bcast(recvBuffer, sendBufferSize, MPI_CHAR, masterNode, MPI_COMM_WORLD); | 
| 304 |  | sstream.str(recvBuffer); | 
| 305 |  | delete [] recvBuffer; | 
| 306 |  | } | 
| 520 |  |  | 
| 521 |  | } | 
| 522 |  | } | 
| 523 | – |  | 
| 523 |  | } | 
| 524 |  |  | 
| 525 |  |  | 
| 559 |  | if (i >> siteIndex) { | 
| 560 |  | // chew up this token and parse as an int: | 
| 561 |  | siteIndex = tokenizer.nextTokenAsInt(); | 
| 562 | < | RigidBody* rb = static_cast<RigidBody*>(sd); | 
| 563 | < | sd = rb->getAtoms()[siteIndex]; | 
| 562 | > |  | 
| 563 | > | if (sd->isRigidBody()) { | 
| 564 | > | RigidBody* rb = static_cast<RigidBody*>(sd); | 
| 565 | > | sd = rb->getAtoms()[siteIndex]; | 
| 566 | > | } | 
| 567 |  | } | 
| 568 |  |  | 
| 569 |  | /** |