forked from lijiext/lammps
Merge branch 'gridcomm-tiled' of github.com:lammps/lammps into gridcomm-tiled
This commit is contained in:
Steve Plimpton
commit
71e0646063
File diff suppressed because it is too large
Load Diff
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@ -14,83 +14,63 @@
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#ifndef LMP_GRIDCOMM_KOKKOS_H
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#define LMP_GRIDCOMM_KOKKOS_H
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#include "pointers.h"
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#include "gridcomm.h"
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#include "kokkos_type.h"
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#include "fftdata_kokkos.h"
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#ifdef FFT_SINGLE
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typedef float FFT_SCALAR;
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#define MPI_FFT_SCALAR MPI_FLOAT
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#else
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typedef double FFT_SCALAR;
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#define MPI_FFT_SCALAR MPI_DOUBLE
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#endif
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namespace LAMMPS_NS {
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template<class DeviceType>
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class GridCommKokkos : protected Pointers {
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class GridCommKokkos : public GridComm {
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public:
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typedef DeviceType device_type;
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typedef ArrayTypes<DeviceType> AT;
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typedef FFTArrayTypes<DeviceType> FFT_AT;
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GridCommKokkos(class LAMMPS *, MPI_Comm, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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GridCommKokkos(class LAMMPS *, MPI_Comm, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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GridCommKokkos(class LAMMPS *, MPI_Comm, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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GridCommKokkos(class LAMMPS *, MPI_Comm, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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~GridCommKokkos();
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void ghost_notify();
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int ghost_overlap();
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void setup();
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void forward_comm(class KSpace *, int);
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void reverse_comm(class KSpace *, int);
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double memory_usage();
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void setup(int &, int &);
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int ghost_adjacent();
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void forward_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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private:
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int me;
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int nforward,nreverse;
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MPI_Comm gridcomm;
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MPI_Request request;
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DAT::tdual_int_2d k_swap_packlist;
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DAT::tdual_int_2d k_swap_unpacklist;
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// in = inclusive indices of 3d grid chunk that I own
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// out = inclusive indices of 3d grid chunk I own plus ghosts I use
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// proc = 6 neighbor procs that surround me
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// ghost = # of my owned grid planes needed from me
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// by each of 6 neighbor procs to become their ghost planes
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DAT::tdual_int_2d k_send_packlist;
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int inxlo,inxhi,inylo,inyhi,inzlo,inzhi;
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int outxlo,outxhi,outylo,outyhi,outzlo,outzhi;
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int outxlo_max,outxhi_max,outylo_max,outyhi_max,outzlo_max,outzhi_max;
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int procxlo,procxhi,procylo,procyhi,proczlo,proczhi;
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int ghostxlo,ghostxhi,ghostylo,ghostyhi,ghostzlo,ghostzhi;
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DAT::tdual_int_2d k_recv_unpacklist;
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int nbuf;
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//FFT_SCALAR *buf1,*buf2;
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FFT_DAT::tdual_FFT_SCALAR_1d k_buf1;
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FFT_DAT::tdual_FFT_SCALAR_1d k_buf2;
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DAT::tdual_int_2d k_copy_packlist;
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DAT::tdual_int_2d k_copy_unpacklist;
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struct Swap {
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int sendproc; // proc to send to for forward comm
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int recvproc; // proc to recv from for forward comm
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int npack; // # of datums to pack
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int nunpack; // # of datums to unpack
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//int *packlist; // 3d array offsets to pack
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//int *unpacklist; // 3d array offsets to unpack
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};
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// -------------------------------------------
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// internal methods
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// -------------------------------------------
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DAT::tdual_int_2d k_packlist;
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DAT::tdual_int_2d k_unpacklist;
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void setup_regular(int &, int &);
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void setup_tiled(int &, int &);
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int nswap;
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Swap *swap;
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void forward_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void forward_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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int indices(DAT::tdual_int_2d &, int, int, int, int, int, int, int);
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void grow_swap();
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int indices_kokkos(DAT::tdual_int_2d &, int, int, int, int, int, int, int);
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};
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}
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@ -24,9 +24,9 @@ class KokkosBaseFFT {
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//Kspace
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virtual void pack_forward_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
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virtual void unpack_forward_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
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virtual void unpack_forward_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, int, DAT::tdual_int_2d &, int) {};
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virtual void pack_reverse_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
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virtual void unpack_reverse_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int) {};
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virtual void unpack_reverse_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, int, DAT::tdual_int_2d &, int) {};
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};
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}
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@ -2568,7 +2568,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_fieldforce_peratom, const int &i
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------------------------------------------------------------------------- */
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template<class DeviceType>
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void PPPMKokkos<DeviceType>::pack_forward_kspace_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
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void PPPMKokkos<DeviceType>::pack_forward_grid_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
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{
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typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
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d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
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@ -2624,11 +2624,12 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_pack_forward2, const int &i) con
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------------------------------------------------------------------------- */
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template<class DeviceType>
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void PPPMKokkos<DeviceType>::unpack_forward_kspace_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
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void PPPMKokkos<DeviceType>::unpack_forward_grid_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int offset, int nlist, DAT::tdual_int_2d &k_list, int index)
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{
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typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
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d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
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d_buf = k_buf.view<DeviceType>();
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unpack_offset = offset;
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nx = (nxhi_out-nxlo_out+1);
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ny = (nyhi_out-nylo_out+1);
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@ -2652,9 +2653,9 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_unpack_forward1, const int &i) c
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const int iz = (int) (dlist/(nx*ny));
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const int iy = (int) ((dlist - iz*nx*ny)/nx);
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const int ix = d_list_index[i] - iz*nx*ny - iy*nx;
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d_vdx_brick(iz,iy,ix) = d_buf[3*i];
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d_vdy_brick(iz,iy,ix) = d_buf[3*i+1];
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d_vdz_brick(iz,iy,ix) = d_buf[3*i+2];
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d_vdx_brick(iz,iy,ix) = d_buf[3*i + unpack_offset];
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d_vdy_brick(iz,iy,ix) = d_buf[3*i+1 + unpack_offset];
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d_vdz_brick(iz,iy,ix) = d_buf[3*i+2 + unpack_offset];
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}
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template<class DeviceType>
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@ -2681,7 +2682,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_unpack_forward2, const int &i) c
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------------------------------------------------------------------------- */
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template<class DeviceType>
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void PPPMKokkos<DeviceType>::pack_reverse_kspace_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
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void PPPMKokkos<DeviceType>::pack_reverse_grid_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
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{
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typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
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d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
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@ -2711,11 +2712,12 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_pack_reverse, const int &i) cons
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------------------------------------------------------------------------- */
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template<class DeviceType>
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void PPPMKokkos<DeviceType>::unpack_reverse_kspace_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int nlist, DAT::tdual_int_2d &k_list, int index)
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void PPPMKokkos<DeviceType>::unpack_reverse_grid_kokkos(int flag, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf, int offset, int nlist, DAT::tdual_int_2d &k_list, int index)
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{
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typename AT::t_int_2d_um d_list = k_list.view<DeviceType>();
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d_list_index = Kokkos::subview(d_list,index,Kokkos::ALL());
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d_buf = k_buf.view<DeviceType>();
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unpack_offset = offset;
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nx = (nxhi_out-nxlo_out+1);
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ny = (nyhi_out-nylo_out+1);
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@ -2733,7 +2735,7 @@ void PPPMKokkos<DeviceType>::operator()(TagPPPM_unpack_reverse, const int &i) co
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const int iz = (int) (dlist/(nx*ny));
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const int iy = (int) ((dlist - iz*nx*ny)/nx);
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const int ix = d_list_index[i] - iz*nx*ny - iy*nx;
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d_density_brick(iz,iy,ix) += d_buf[i];
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d_density_brick(iz,iy,ix) += d_buf[i + unpack_offset];
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}
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/* ----------------------------------------------------------------------
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@ -311,6 +311,7 @@ class PPPMKokkos : public PPPM, public KokkosBaseFFT {
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int nx,ny,nz;
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typename AT::t_int_1d_um d_list_index;
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typename FFT_AT::t_FFT_SCALAR_1d_um d_buf;
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int unpack_offset;
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DAT::tdual_int_scalar k_flag;
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@ -404,9 +405,9 @@ class PPPMKokkos : public PPPM, public KokkosBaseFFT {
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// grid communication
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void pack_forward_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int);
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void unpack_forward_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int);
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void unpack_forward_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, int, DAT::tdual_int_2d &, int);
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void pack_reverse_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int);
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void unpack_reverse_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, DAT::tdual_int_2d &, int);
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void unpack_reverse_kspace_kokkos(int, FFT_DAT::tdual_FFT_SCALAR_1d &, int, int, DAT::tdual_int_2d &, int);
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// triclinic
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@ -1095,8 +1095,8 @@ void GridComm::grow_overlap()
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/* ----------------------------------------------------------------------
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create 1d list of offsets into 3d array section (xlo:xhi,ylo:yhi,zlo:zhi)
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assume 3d array is allocated as (outxlo_max:outxhi_max,outylo_max:outyhi_max,
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outzlo_max:outzhi_max)
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assume 3d array is allocated as (fullxlo:fullxhi,fullylo:fullyhi,
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fullzlo:fullzhi)
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------------------------------------------------------------------------- */
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int GridComm::indices(int *&list,
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@ -27,15 +27,15 @@ class GridComm : protected Pointers {
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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~GridComm();
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void setup(int &, int &);
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int ghost_adjacent();
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void forward_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual ~GridComm();
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virtual void setup(int &, int &);
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virtual int ghost_adjacent();
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virtual void forward_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual void reverse_comm_kspace(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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private:
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protected:
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int me,nprocs;
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int layout; // REGULAR or TILED
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MPI_Comm gridcomm; // communicator for this class
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@ -181,24 +181,24 @@ class GridComm : protected Pointers {
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int, int, int, int, int, int,
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int, int, int, int, int, int,
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int, int, int, int, int, int);
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void setup_regular(int &, int &);
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void setup_tiled(int &, int &);
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virtual void setup_regular(int &, int &);
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virtual void setup_tiled(int &, int &);
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void ghost_box_drop(int *, int *);
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void box_drop_grid(int *, int, int, int &, int *);
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int ghost_adjacent_regular();
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int ghost_adjacent_tiled();
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void forward_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void forward_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void reverse_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual void forward_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual void forward_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual void reverse_comm_kspace_regular(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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virtual void reverse_comm_kspace_tiled(class KSpace *, int, int, int,
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void *, void *, MPI_Datatype);
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void grow_swap();
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virtual void grow_swap();
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void grow_overlap();
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int indices(int *&, int, int, int, int, int, int);
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