diff --git a/input.C b/input.C index 79e8226..5bc85d1 100644 --- a/input.C +++ b/input.C @@ -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(region.get_address()) + (oneIntegralMem+twoIntegralMem)*integralIndex; v2.set_data() = static_cast(region.get_address()) + oneIntegralMem + (oneIntegralMem+twoIntegralMem)*integralIndex; @@ -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(region.get_address()) + intdim*integralIndex; vcc.set_data() = static_cast(region.get_address()) + oneIntegralMem + intdim*integralIndex; @@ -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(region.get_address()); v2.set_data() = static_cast(region.get_address()) + oneIntegralMem; vpt1.set_data() = static_cast(region.get_address()) + oneIntegralMem + twoIntegralMem; @@ -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