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Remove old c++ MPI bindings #9

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Remove old c++ MPI bindings #9

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36 changes: 18 additions & 18 deletions input.C
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Original file line number Diff line number Diff line change
Expand Up @@ -1862,7 +1862,7 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile, OneElectronArray&
}
#ifndef SERIAL
//wait for all procs to zero out the memory
MPI::COMM_WORLD.Barrier();
world.barrier();
#endif
v1.set_data() = static_cast<double*>(region.get_address()) + (oneIntegralMem+twoIntegralMem)*integralIndex;
v2.set_data() = static_cast<double*>(region.get_address()) + oneIntegralMem + (oneIntegralMem+twoIntegralMem)*integralIndex;
Expand Down Expand Up @@ -1930,16 +1930,16 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile, OneElectronArray&
}

#ifndef SERIAL
MPI::COMM_WORLD.Barrier();
world.barrier();
long intdim = oneIntegralMem+twoIntegralMem;
long maxint = 26843540; //mpi cannot transfer more than these number of doubles
long maxIter = intdim/maxint;
for (int i=0; i<maxIter; i++) {
MPI::COMM_WORLD.Bcast(v1.set_data()+i*maxint, maxint, MPI_DOUBLE, 0);
MPI::COMM_WORLD.Barrier();
mpi::broadcast(world, v1.set_data()+i*maxint, maxint, 0);
world.barrier();
}
MPI::COMM_WORLD.Bcast(v1.set_data()+(maxIter)*maxint, oneIntegralMem+twoIntegralMem - maxIter*maxint, MPI_DOUBLE, 0);
MPI::COMM_WORLD.Barrier();
mpi::broadcast(world, v1.set_data()+(maxIter)*maxint, oneIntegralMem+twoIntegralMem - maxIter*maxint, 0);
world.barrier();

#endif
}
Expand Down Expand Up @@ -2197,7 +2197,7 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile, OneElectronArray&
}
#ifndef SERIAL
//wait for all procs to zero out the memory
MPI::COMM_WORLD.Barrier();
world.barrier();
#endif
v1.set_data() = static_cast<double*>(region.get_address()) + intdim*integralIndex;
vcc.set_data() = static_cast<double*>(region.get_address()) + oneIntegralMem + intdim*integralIndex;
Expand Down Expand Up @@ -2302,15 +2302,15 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile, OneElectronArray&
dumpFile.close();
}
#ifndef SERIAL
MPI::COMM_WORLD.Barrier();
world.barrier();
long maxint = 26843540; //mpi cannot transfer more than these number of doubles
long maxIter = intdim/maxint;
for (int i=0; i<maxIter; i++) {
MPI::COMM_WORLD.Bcast(v1.set_data()+i*maxint, maxint, MPI_DOUBLE, 0);
MPI::COMM_WORLD.Barrier();
mpi::broadcast(world, v1.set_data()+i*maxint, maxint, 0);
world.barrier();
}
MPI::COMM_WORLD.Bcast(v1.set_data()+(maxIter)*maxint, intdim - maxIter*maxint, MPI_DOUBLE, 0);
MPI::COMM_WORLD.Barrier();
mpi::broadcast(world, v1.set_data()+(maxIter)*maxint, intdim - maxIter*maxint, 0);
world.barrier();

#endif
}
Expand Down Expand Up @@ -2577,7 +2577,7 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile,OneElectronArray&
region = boost::interprocess::mapped_region{segment, boost::interprocess::read_write};
memset(region.get_address(), 0., (oneIntegralMem+twoIntegralMem+PerturboneIntegralMem)*m_num_Integrals*sizeof(double));
//wait for all procs to zero out the memory
MPI::COMM_WORLD.Barrier();
world.barrier();
v1.set_data() = static_cast<double*>(region.get_address());
v2.set_data() = static_cast<double*>(region.get_address()) + oneIntegralMem;
vpt1.set_data() = static_cast<double*>(region.get_address()) + oneIntegralMem + twoIntegralMem;
Expand Down Expand Up @@ -2692,16 +2692,16 @@ void SpinAdapted::Input::readorbitalsfile(string& orbitalfile,OneElectronArray&
dumpFile.close();
}
#ifndef SERIAL
MPI::COMM_WORLD.Barrier();
world.barrier();
long intdim = oneIntegralMem+twoIntegralMem+PerturboneIntegralMem;
long maxint = 26843540; //mpi cannot transfer more than these number of doubles
long maxIter = intdim/maxint;
for (int i=0; i<maxIter; i++) {
MPI::COMM_WORLD.Bcast(v1.set_data()+i*maxint, maxint, MPI_DOUBLE, 0);
MPI::COMM_WORLD.Barrier();
mpi::broadcast(world, v1.set_data()+i*maxint, maxint, 0);
world.barrier();
}
MPI::COMM_WORLD.Bcast(v1.set_data()+(maxIter)*maxint, oneIntegralMem+twoIntegralMem+PerturboneIntegralMem- maxIter*maxint, MPI_DOUBLE, 0);
MPI::COMM_WORLD.Barrier();
mpi::broadcast(world, v1.set_data()+(maxIter)*maxint, oneIntegralMem+twoIntegralMem+PerturboneIntegralMem- maxIter*maxint, 0);
world.barrier();

#endif
}
Expand Down