# | Line 35 | Line 35 | |
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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 | */ | |
# | Line 75 | Line 75 | namespace OpenMD { | |
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, | |
# | Line 140 | Line 141 | namespace OpenMD { | |
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 | ||
# | Line 201 | Line 202 | namespace OpenMD { | |
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 | ||
# | Line 287 | Line 288 | namespace OpenMD { | |
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 | } |
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