diff --git a/src/OPENMP/msm_cg_omp.cpp b/src/OPENMP/msm_cg_omp.cpp index 6e67b3e1be..c45e75f9a5 100644 --- a/src/OPENMP/msm_cg_omp.cpp +++ b/src/OPENMP/msm_cg_omp.cpp @@ -166,8 +166,8 @@ void MSMCGOMP::compute(int eflag, int vflag) // to fully sum contribution in their 3d grid current_level = 0; - gcall->reverse_comm_kspace(this,1,sizeof(double),REVERSE_RHO, - gcall_buf1,gcall_buf2,MPI_DOUBLE); + gcall->reverse_comm(GridComm::KSPACE,this,1,sizeof(double),REVERSE_RHO, + gcall_buf1,gcall_buf2,MPI_DOUBLE); // forward communicate charge density values to fill ghost grid points // compute direct sum interaction and then restrict to coarser grid @@ -175,8 +175,8 @@ void MSMCGOMP::compute(int eflag, int vflag) for (int n=0; n<=levels-2; n++) { if (!active_flag[n]) continue; current_level = n; - gc[n]->forward_comm_kspace(this,1,sizeof(double),FORWARD_RHO, - gc_buf1[n],gc_buf2[n],MPI_DOUBLE); + gc[n]->forward_comm(GridComm::KSPACE,this,1,sizeof(double),FORWARD_RHO, + gc_buf1[n],gc_buf2[n],MPI_DOUBLE); direct(n); restriction(n); } @@ -188,16 +188,16 @@ void MSMCGOMP::compute(int eflag, int vflag) if (domain->nonperiodic) { current_level = levels-1; gc[levels-1]-> - forward_comm_kspace(this,1,sizeof(double),FORWARD_RHO, - gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); + forward_comm(GridComm::KSPACE,this,1,sizeof(double),FORWARD_RHO, + gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); direct_top(levels-1); gc[levels-1]-> - reverse_comm_kspace(this,1,sizeof(double),REVERSE_AD, - gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); + reverse_comm(GridComm::KSPACE,this,1,sizeof(double),REVERSE_AD, + gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); if (vflag_atom) gc[levels-1]-> - reverse_comm_kspace(this,6,sizeof(double),REVERSE_AD_PERATOM, - gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); + reverse_comm(GridComm::KSPACE,this,6,sizeof(double),REVERSE_AD_PERATOM, + gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); } else { // Here using MPI_Allreduce is cheaper than using commgrid @@ -207,8 +207,8 @@ void MSMCGOMP::compute(int eflag, int vflag) current_level = levels-1; if (vflag_atom) gc[levels-1]-> - reverse_comm_kspace(this,6,sizeof(double),REVERSE_AD_PERATOM, - gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); + reverse_comm(GridComm::KSPACE,this,6,sizeof(double),REVERSE_AD_PERATOM, + gc_buf1[levels-1],gc_buf2[levels-1],MPI_DOUBLE); } } @@ -220,28 +220,28 @@ void MSMCGOMP::compute(int eflag, int vflag) prolongation(n); current_level = n; - gc[n]->reverse_comm_kspace(this,1,sizeof(double),REVERSE_AD, - gc_buf1[n],gc_buf2[n],MPI_DOUBLE); + gc[n]->reverse_comm(GridComm::KSPACE,this,1,sizeof(double),REVERSE_AD, + gc_buf1[n],gc_buf2[n],MPI_DOUBLE); // extra per-atom virial communication if (vflag_atom) - gc[n]->reverse_comm_kspace(this,6,sizeof(double),REVERSE_AD_PERATOM, - gc_buf1[n],gc_buf2[n],MPI_DOUBLE); + gc[n]->reverse_comm(GridComm::KSPACE,this,6,sizeof(double), + REVERSE_AD_PERATOM,gc_buf1[n],gc_buf2[n],MPI_DOUBLE); } // all procs communicate E-field values // to fill ghost cells surrounding their 3d bricks current_level = 0; - gcall->forward_comm_kspace(this,1,sizeof(double),FORWARD_AD, - gcall_buf1,gcall_buf2,MPI_DOUBLE); + gcall->forward_comm(GridComm::KSPACE,this,1,sizeof(double),FORWARD_AD, + gcall_buf1,gcall_buf2,MPI_DOUBLE); // extra per-atom energy/virial communication if (vflag_atom) - gcall->forward_comm_kspace(this,6,sizeof(double),FORWARD_AD_PERATOM, - gcall_buf1,gcall_buf2,MPI_DOUBLE); + gcall->forward_comm(GridComm::KSPACE,this,6,sizeof(double),FORWARD_AD_PERATOM, + gcall_buf1,gcall_buf2,MPI_DOUBLE); // calculate the force on my particles (interpolation)