# | 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 97 | Line 97 | namespace OpenMD { | |
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 | ||
# | Line 132 | Line 132 | namespace OpenMD { | |
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 | } |
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