--- trunk/mdtools/md_code/Thermo.cpp 2003/01/30 15:20:21 253 +++ trunk/mdtools/md_code/Thermo.cpp 2003/02/03 21:15:59 261 @@ -3,6 +3,7 @@ using namespace std; using namespace std; #ifdef IS_MPI +#include #include #endif //is_mpi @@ -17,9 +18,7 @@ Thermo::Thermo( SimInfo* the_entry_plug ) { entry_plug = the_entry_plug; int baseSeed = BASE_SEED; - cerr << "creating thermo stream\n"; gaussStream = new gaussianSPRNG( baseSeed ); - cerr << "created thermo stream\n"; } Thermo::~Thermo(){ @@ -68,7 +67,7 @@ double Thermo::getKinetic(){ } } #ifdef IS_MPI - MPI_COMM_WORLD.Allreduce(&kinetic,&kinetic_global,1,MPI_DOUBLE,MPI_SUM); + MPI::COMM_WORLD.Allreduce(&kinetic,&kinetic_global,1,MPI_DOUBLE,MPI_SUM); kinetic = kinetic_global; #endif //is_mpi @@ -99,7 +98,7 @@ double Thermo::getPotential(){ // Get total potential for entire system from MPI. #ifdef IS_MPI - MPI_COMM_WORLD.Allreduce(&potential,&potential_global,1,MPI_DOUBLE,MPI_SUM); + MPI::COMM_WORLD.Allreduce(&potential,&potential_global,1,MPI_DOUBLE,MPI_SUM); potential = potential_global; #endif // is_mpi @@ -190,7 +189,7 @@ void Thermo::velocitize() { #ifdef IS_MPI #error "SPRNG random number generator must be used for MPI" #else -#warning "Using drand48 for random number generation" + // warning "Using drand48 for random number generation" #endif // is_mpi x = drand48(); @@ -266,7 +265,7 @@ void Thermo::velocitize() { #ifdef IS_MPI #error "SPRNG random number generator must be used for MPI" #else // is_mpi -#warning "Using drand48 for random number generation" + //warning "Using drand48 for random number generation" #endif // is_MPI vbar = sqrt( 2.0 * kebar * dAtom->getIxx() );