| 39 |  | * [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010). | 
| 40 |  | * [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). | 
| 41 |  | */ | 
| 42 | < | #include "parallel/ForceDecomposition.hpp" | 
| 43 | < | #include "math/Vector3.hpp" | 
| 42 | > |  | 
| 43 |  | #ifdef IS_MPI | 
| 44 |  | #include <mpi.h> | 
| 45 |  | #endif | 
| 46 |  |  | 
| 47 | + | #include "parallel/ForceDecomposition.hpp" | 
| 48 | + | #include "math/Vector3.hpp" | 
| 49 | + |  | 
| 50 |  | using namespace std; | 
| 51 |  | namespace OpenMD { | 
| 52 |  |  | 
| 168 |  | } | 
| 169 |  |  | 
| 170 |  | #ifdef IS_MPI | 
| 171 | < | MPI::COMM_WORLD.Allreduce(&dispmax, &dispmax, 1, MPI::REALTYPE, MPI::MAX); | 
| 171 | > | MPI_Allreduce(&dispmax, &dispmax, 1, MPI_REALTYPE, MPI_MAX, MPI_COMM_WORLD); | 
| 172 |  | #endif | 
| 173 |  |  | 
| 174 |  | // a conservative test of list skin crossings |