diff --git a/src/includes/pbc.h b/src/includes/pbc.h index 697ea4b..10234be 100644 --- a/src/includes/pbc.h +++ b/src/includes/pbc.h @@ -25,7 +25,7 @@ #ifndef __PBC_H_ #define __PBC_H_ -extern void initPbc(); +extern void initPbc(Atom*); extern void updatePbc(Atom*, Parameter*); extern void updatePbc_cuda(Atom*, Parameter*, Atom*, bool, const int); extern void updateAtomsPbc(Atom*, Parameter*); diff --git a/src/main.c b/src/main.c index ef9e6eb..19efda9 100644 --- a/src/main.c +++ b/src/main.c @@ -347,7 +347,7 @@ int main(int argc, char** argv) if(doReneighbour) { timer[NEIGH] += reneighbour(¶m, &atom, &neighbor, &c_atom, &c_neighbor, num_threads_per_block); } else { - updatePbc(&atom, ¶m, &c_atom, false, num_threads_per_block); + updatePbc_cuda(&atom, ¶m, &c_atom, false, num_threads_per_block); } if(param.force_field == FF_EAM) {