--- trunk/src/io/RestReader.cpp 2013/06/16 15:15:42 1879 +++ trunk/src/io/RestReader.cpp 2014/03/06 19:34:22 1973 @@ -39,8 +39,11 @@ * [4] Kuang & Gezelter, J. Chem. Phys. 133, 164101 (2010). * [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). */ - +#ifdef IS_MPI +#include +#endif + #include #include @@ -59,18 +62,13 @@ #include "utils/StringTokenizer.hpp" #include "restraints/ObjectRestraint.hpp" #include "restraints/MolecularRestraint.hpp" - -#ifdef IS_MPI - -#include -#endif namespace OpenMD { void RestReader::scanFile(){ std::streampos prevPos; - std::streampos currPos; + std::streampos currPos; #ifdef IS_MPI @@ -90,14 +88,14 @@ namespace OpenMD { currPos = inFile_->tellg(); if (line.find("")!= std::string::npos) { foundOpenSnapshotTag = true; - framePos_ = prevPos; + framePos_ = (long long) prevPos; } prevPos = currPos; } #ifdef IS_MPI } - MPI::COMM_WORLD.Bcast(&framePos_, 1, MPI::INT, 0); + MPI_Bcast(&framePos_, 1, MPI_LONG_LONG, 0, MPI_COMM_WORLD); #endif // is_mpi } @@ -132,18 +130,19 @@ namespace OpenMD { } int sendBufferSize = sendBuffer.size(); - MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); - MPI::COMM_WORLD.Bcast((void *)sendBuffer.c_str(), sendBufferSize, - MPI::CHAR, masterNode); + MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD); + MPI_Bcast((void *)sendBuffer.c_str(), sendBufferSize, + MPI_CHAR, masterNode, MPI_COMM_WORLD); sstream.str(sendBuffer); } else { int sendBufferSize; - MPI::COMM_WORLD.Bcast(&sendBufferSize, 1, MPI::INT, masterNode); + MPI_Bcast(&sendBufferSize, 1, MPI_INT, masterNode, MPI_COMM_WORLD); char * recvBuffer = new char[sendBufferSize+1]; assert(recvBuffer); recvBuffer[sendBufferSize] = '\0'; - MPI::COMM_WORLD.Bcast(recvBuffer, sendBufferSize, MPI::CHAR, masterNode); + MPI_Bcast(recvBuffer, sendBufferSize, MPI_CHAR, masterNode, + MPI_COMM_WORLD); sstream.str(recvBuffer); delete [] recvBuffer; }