diff --git a/src/INTEL/pppm_disp_intel.cpp b/src/INTEL/pppm_disp_intel.cpp index 6b732ccfac..61c4ea3a7c 100644 --- a/src/INTEL/pppm_disp_intel.cpp +++ b/src/INTEL/pppm_disp_intel.cpp @@ -293,8 +293,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) make_rho_c(fix->get_single_buffers()); } - gc->reverse_comm_kspace(this,1,sizeof(FFT_SCALAR),REVERSE_RHO, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->reverse_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),REVERSE_RHO, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); brick2fft(nxlo_in, nylo_in, nzlo_in, nxhi_in, nyhi_in, nzhi_in, density_brick, density_fft, work1,remap); @@ -307,8 +307,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) energy_1, greensfn, virial_1, vg,vg2, u_brick, v0_brick, v1_brick, v2_brick, v3_brick, v4_brick, v5_brick); - gc->forward_comm_kspace(this,1,sizeof(FFT_SCALAR),FORWARD_AD, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),FORWARD_AD, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_c_ad(fix->get_mixed_buffers()); @@ -319,8 +319,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (vflag_atom) - gc->forward_comm_kspace(this,6,sizeof(FFT_SCALAR),FORWARD_AD_PERATOM, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,6,sizeof(FFT_SCALAR), + FORWARD_AD_PERATOM,gc_buf1,gc_buf2,MPI_FFT_SCALAR); } else { poisson_ik(work1, work2, density_fft, fft1, fft2, @@ -332,8 +332,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) u_brick, v0_brick, v1_brick, v2_brick, v3_brick, v4_brick, v5_brick); - gc->forward_comm_kspace(this,3,sizeof(FFT_SCALAR),FORWARD_IK, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,3,sizeof(FFT_SCALAR),FORWARD_IK, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_c_ik(fix->get_mixed_buffers()); @@ -344,8 +344,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (evflag_atom) - gc->forward_comm_kspace(this,7,sizeof(FFT_SCALAR),FORWARD_IK_PERATOM, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,7,sizeof(FFT_SCALAR), + FORWARD_IK_PERATOM,gc_buf1,gc_buf2,MPI_FFT_SCALAR); } if (evflag_atom) fieldforce_c_peratom(); } @@ -377,8 +377,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) make_rho_g(fix->get_single_buffers()); } - gc6->reverse_comm_kspace(this,1,sizeof(FFT_SCALAR),REVERSE_RHO_G, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->reverse_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),REVERSE_RHO_G, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); brick2fft(nxlo_in_6, nylo_in_6, nzlo_in_6, nxhi_in_6, nyhi_in_6, nzhi_in_6, density_brick_g, density_fft_g, work1_6,remap_6); @@ -392,8 +392,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) virial_6, vg_6, vg2_6, u_brick_g, v0_brick_g, v1_brick_g, v2_brick_g, v3_brick_g, v4_brick_g, v5_brick_g); - gc6->forward_comm_kspace(this,1,sizeof(FFT_SCALAR),FORWARD_AD_G, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),FORWARD_AD_G, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_g_ad(fix->get_mixed_buffers()); @@ -404,8 +404,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (vflag_atom) - gc6->forward_comm_kspace(this,7,sizeof(FFT_SCALAR),FORWARD_AD_PERATOM_G, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,7,sizeof(FFT_SCALAR), + FORWARD_AD_PERATOM_G,gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); } else { poisson_ik(work1_6, work2_6, density_fft_g, fft1_6, fft2_6, @@ -417,8 +417,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) vdz_brick_g, virial_6, vg_6, vg2_6, u_brick_g, v0_brick_g, v1_brick_g, v2_brick_g, v3_brick_g, v4_brick_g, v5_brick_g); - gc6->forward_comm_kspace(this,3,sizeof(FFT_SCALAR),FORWARD_IK_G, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,3,sizeof(FFT_SCALAR),FORWARD_IK_G, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_g_ik(fix->get_mixed_buffers()); @@ -429,8 +429,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (evflag_atom) - gc6->forward_comm_kspace(this,6,sizeof(FFT_SCALAR),FORWARD_IK_PERATOM_G, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,6,sizeof(FFT_SCALAR), + FORWARD_IK_PERATOM_G,gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); } if (evflag_atom) fieldforce_g_peratom(); @@ -462,8 +462,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) make_rho_a(fix->get_single_buffers()); } - gc->reverse_comm_kspace(this,7,sizeof(FFT_SCALAR),REVERSE_RHO_A, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->reverse_comm(GridComm::KSPACE,this,7,sizeof(FFT_SCALAR),REVERSE_RHO_A, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); brick2fft_a(); @@ -488,8 +488,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) v5_brick_a2, u_brick_a4, v0_brick_a4, v1_brick_a4, v2_brick_a4, v3_brick_a4, v4_brick_a4, v5_brick_a4); - gc6->forward_comm_kspace(this,7,sizeof(FFT_SCALAR),FORWARD_AD_A, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,7,sizeof(FFT_SCALAR),FORWARD_AD_A, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_a_ad(fix->get_mixed_buffers()); @@ -500,8 +500,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (evflag_atom) - gc6->forward_comm_kspace(this,42,sizeof(FFT_SCALAR),FORWARD_AD_PERATOM_A, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,42,sizeof(FFT_SCALAR), + FORWARD_AD_PERATOM_A,gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); } else { poisson_ik(work1_6, work2_6, density_fft_a3, fft1_6, fft2_6, @@ -531,8 +531,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) u_brick_a4, v0_brick_a4, v1_brick_a4, v2_brick_a4, v3_brick_a4, v4_brick_a4, v5_brick_a4); - gc6->forward_comm_kspace(this,18,sizeof(FFT_SCALAR),FORWARD_IK_A, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,18,sizeof(FFT_SCALAR),FORWARD_IK_A, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_a_ik(fix->get_mixed_buffers()); @@ -543,8 +543,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (evflag_atom) - gc6->forward_comm_kspace(this,49,sizeof(FFT_SCALAR),FORWARD_IK_PERATOM_A, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,49,sizeof(FFT_SCALAR), + FORWARD_IK_PERATOM_A,gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); } if (evflag_atom) fieldforce_a_peratom(); @@ -577,8 +577,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) make_rho_none(fix->get_single_buffers()); } - gc->reverse_comm_kspace(this,1,sizeof(FFT_SCALAR),REVERSE_RHO_NONE, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->reverse_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),REVERSE_RHO_NONE, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); brick2fft_none(); @@ -593,8 +593,8 @@ void PPPMDispIntel::compute(int eflag, int vflag) n += 2; } - gc6->forward_comm_kspace(this,1,sizeof(FFT_SCALAR),FORWARD_AD_NONE, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR), + FORWARD_AD_NONE,gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_none_ad(fix->get_mixed_buffers()); @@ -605,8 +605,9 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (vflag_atom) - gc6->forward_comm_kspace(this,6,sizeof(FFT_SCALAR),FORWARD_AD_PERATOM_NONE, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,6,sizeof(FFT_SCALAR), + FORWARD_AD_PERATOM_NONE, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); } else { int n = 0; @@ -622,8 +623,9 @@ void PPPMDispIntel::compute(int eflag, int vflag) n += 2; } - gc6->forward_comm_kspace(this,3,sizeof(FFT_SCALAR),FORWARD_IK_NONE, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,3,sizeof(FFT_SCALAR), + FORWARD_IK_NONE, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); if (fix->precision() == FixIntel::PREC_MODE_MIXED) { fieldforce_none_ik(fix->get_mixed_buffers()); @@ -634,8 +636,9 @@ void PPPMDispIntel::compute(int eflag, int vflag) } if (evflag_atom) - gc6->forward_comm_kspace(this,7,sizeof(FFT_SCALAR),FORWARD_IK_PERATOM_NONE, - gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); + gc6->forward_comm(GridComm::KSPACE,this,7,sizeof(FFT_SCALAR), + FORWARD_IK_PERATOM_NONE, + gc6_buf1,gc6_buf2,MPI_FFT_SCALAR); } if (evflag_atom) fieldforce_none_peratom(); diff --git a/src/INTEL/pppm_intel.cpp b/src/INTEL/pppm_intel.cpp index 8041709ebc..53ab7c41bf 100644 --- a/src/INTEL/pppm_intel.cpp +++ b/src/INTEL/pppm_intel.cpp @@ -230,8 +230,8 @@ void PPPMIntel::compute_first(int eflag, int vflag) // to fully sum contribution in their 3d bricks // remap from 3d decomposition to FFT decomposition - gc->reverse_comm_kspace(this,1,sizeof(FFT_SCALAR),REVERSE_RHO, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->reverse_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),REVERSE_RHO, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); brick2fft(); // compute potential gradient on my FFT grid and @@ -246,21 +246,21 @@ void PPPMIntel::compute_first(int eflag, int vflag) // to fill ghost cells surrounding their 3d bricks if (differentiation_flag == 1) - gc->forward_comm_kspace(this,1,sizeof(FFT_SCALAR),FORWARD_AD, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,1,sizeof(FFT_SCALAR),FORWARD_AD, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); else - gc->forward_comm_kspace(this,3,sizeof(FFT_SCALAR),FORWARD_IK, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); - + gc->forward_comm(GridComm::KSPACE,this,3,sizeof(FFT_SCALAR),FORWARD_IK, + gc_buf1,gc_buf2,MPI_FFT_SCALAR); + // extra per-atom energy/virial communication if (evflag_atom) { if (differentiation_flag == 1 && vflag_atom) - gc->forward_comm_kspace(this,6,sizeof(FFT_SCALAR),FORWARD_AD_PERATOM, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,6,sizeof(FFT_SCALAR), + FORWARD_AD_PERATOM,gc_buf1,gc_buf2,MPI_FFT_SCALAR); else if (differentiation_flag == 0) - gc->forward_comm_kspace(this,7,sizeof(FFT_SCALAR),FORWARD_IK_PERATOM, - gc_buf1,gc_buf2,MPI_FFT_SCALAR); + gc->forward_comm(GridComm::KSPACE,this,7,sizeof(FFT_SCALAR), + FORWARD_IK_PERATOM,gc_buf1,gc_buf2,MPI_FFT_SCALAR); } }