Commit cc0d2944 authored by Stan Moore's avatar Stan Moore
Browse files

Fix segfault

parent 3a8b2aef

src/KOKKOS/gridcomm_kokkos.cpp

+14 −16
Original line number Diff line number Diff line
@@ -642,20 +642,20 @@ void GridCommKokkos<DeviceType>::setup_tiled(int &nbuf1, int &nbuf2) 
------------------------------------------------------------------------- */



template<class DeviceType>

void GridCommKokkos<DeviceType>::forward_comm_kspace(KSpace *kspace, int nper, int nbyte, int which,

void GridCommKokkos<DeviceType>::forward_comm_kspace(KSpace *kspace, int nper, int which,

				   FFT_DAT::tdual_FFT_SCALAR_1d &k_buf1, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf2, MPI_Datatype datatype)

{

  if (layout == REGULAR)

    forward_comm_kspace_regular(kspace,nper,nbyte,which,k_buf1,k_buf2,datatype);

    forward_comm_kspace_regular(kspace,nper,which,k_buf1,k_buf2,datatype);

  else

    forward_comm_kspace_tiled(kspace,nper,nbyte,which,k_buf1,k_buf2,datatype);

    forward_comm_kspace_tiled(kspace,nper,which,k_buf1,k_buf2,datatype);

}



/* ---------------------------------------------------------------------- */



template<class DeviceType>

void GridCommKokkos<DeviceType>::

forward_comm_kspace_regular(KSpace *kspace, int nper, int nbyte, int which,

forward_comm_kspace_regular(KSpace *kspace, int nper, int which,

			    FFT_DAT::tdual_FFT_SCALAR_1d &k_buf1, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf2, MPI_Datatype datatype)

{

  int m;
@@ -707,7 +707,7 @@ forward_comm_kspace_regular(KSpace *kspace, int nper, int nbyte, int which, 


template<class DeviceType>

void GridCommKokkos<DeviceType>::

forward_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which,

forward_comm_kspace_tiled(KSpace *kspace, int nper, int which,

			  FFT_DAT::tdual_FFT_SCALAR_1d &k_buf1, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf2, MPI_Datatype datatype)

{

  int i,m,offset;
@@ -726,7 +726,7 @@ forward_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which, 
  // post all receives

  

  for (m = 0; m < nrecv; m++) {

    offset = nper * recv[m].offset * nbyte;

    offset = nper * recv[m].offset;

    MPI_Irecv(&buf2[offset],nper*recv[m].nunpack,datatype,

	      recv[m].proc,0,gridcomm,&requests[m]);

  }
@@ -762,7 +762,7 @@ forward_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which, 
      k_buf2.sync<DeviceType>();

    }



    offset = nper * recv[m].offset * nbyte;

    offset = nper * recv[m].offset;

    kspaceKKBase->unpack_forward_grid_kokkos(which,k_buf2,offset,

				recv[m].nunpack,k_recv_unpacklist,m);

    DeviceType().fence();
@@ -775,20 +775,20 @@ forward_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which, 
------------------------------------------------------------------------- */



template<class DeviceType>

void GridCommKokkos<DeviceType>::reverse_comm_kspace(KSpace *kspace, int nper, int nbyte, int which,

void GridCommKokkos<DeviceType>::reverse_comm_kspace(KSpace *kspace, int nper, int which,

				    FFT_DAT::tdual_FFT_SCALAR_1d &k_buf1, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf2, MPI_Datatype datatype)

{

  if (layout == REGULAR)

    reverse_comm_kspace_regular(kspace,nper,nbyte,which,k_buf1,k_buf2,datatype);

    reverse_comm_kspace_regular(kspace,nper,which,k_buf1,k_buf2,datatype);

  else

    reverse_comm_kspace_tiled(kspace,nper,nbyte,which,k_buf1,k_buf2,datatype);

    reverse_comm_kspace_tiled(kspace,nper,which,k_buf1,k_buf2,datatype);

}



/* ---------------------------------------------------------------------- */



template<class DeviceType>

void GridCommKokkos<DeviceType>::

reverse_comm_kspace_regular(KSpace *kspace, int nper, int nbyte, int which,

reverse_comm_kspace_regular(KSpace *kspace, int nper, int which,

			    FFT_DAT::tdual_FFT_SCALAR_1d &k_buf1, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf2, MPI_Datatype datatype)

{

  int m;
@@ -841,7 +841,7 @@ reverse_comm_kspace_regular(KSpace *kspace, int nper, int nbyte, int which, 


template<class DeviceType>

void GridCommKokkos<DeviceType>::

reverse_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which,

reverse_comm_kspace_tiled(KSpace *kspace, int nper, int which,

			  FFT_DAT::tdual_FFT_SCALAR_1d &k_buf1, FFT_DAT::tdual_FFT_SCALAR_1d &k_buf2, MPI_Datatype datatype)

{

  int i,m,offset;
@@ -854,8 +854,6 @@ reverse_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which, 
    buf1 = k_buf1.view<DeviceType>().data();

    buf2 = k_buf2.view<DeviceType>().data();

  } else {

    k_buf1.modify<DeviceType>();

    k_buf1.sync<LMPHostType>();

    buf1 = k_buf1.h_view.data();

    buf2 = k_buf2.h_view.data();

  }
@@ -863,7 +861,7 @@ reverse_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which, 
  // post all receives

  

  for (m = 0; m < nsend; m++) {

    offset = nper * send[m].offset * nbyte;

    offset = nper * send[m].offset;

    MPI_Irecv(&buf2[offset],nper*send[m].npack,datatype,

	      send[m].proc,0,gridcomm,&requests[m]);

  }
@@ -899,7 +897,7 @@ reverse_comm_kspace_tiled(KSpace *kspace, int nper, int nbyte, int which, 
      k_buf2.sync<DeviceType>();

    }



    offset = nper * send[m].offset * nbyte;

    offset = nper * send[m].offset;

    kspaceKKBase->unpack_reverse_grid_kokkos(which,k_buf2,offset,

				send[m].npack,k_send_packlist,m);

    DeviceType().fence();

src/KOKKOS/gridcomm_kokkos.h

+6 −6
Original line number Diff line number Diff line
@@ -34,9 +34,9 @@ class GridCommKokkos : public GridComm { 
	   int, int, int, int, int, int,

	   int, int, int, int, int, int);

  ~GridCommKokkos();

  void forward_comm_kspace(class KSpace *, int, int, int,

  void forward_comm_kspace(class KSpace *, int, int,

			   FFT_DAT::tdual_FFT_SCALAR_1d &, FFT_DAT::tdual_FFT_SCALAR_1d &, MPI_Datatype);

  void reverse_comm_kspace(class KSpace *, int, int, int,

  void reverse_comm_kspace(class KSpace *, int, int,

			   FFT_DAT::tdual_FFT_SCALAR_1d &, FFT_DAT::tdual_FFT_SCALAR_1d &, MPI_Datatype);



 private:
@@ -57,13 +57,13 @@ class GridCommKokkos : public GridComm { 
  void setup_regular(int &, int &);

  void setup_tiled(int &, int &);



  void forward_comm_kspace_regular(class KSpace *, int, int, int,

  void forward_comm_kspace_regular(class KSpace *, int, int,

                                   FFT_DAT::tdual_FFT_SCALAR_1d &, FFT_DAT::tdual_FFT_SCALAR_1d &, MPI_Datatype);

  void forward_comm_kspace_tiled(class KSpace *, int, int, int,

  void forward_comm_kspace_tiled(class KSpace *, int, int,

                                 FFT_DAT::tdual_FFT_SCALAR_1d &, FFT_DAT::tdual_FFT_SCALAR_1d &, MPI_Datatype);

  void reverse_comm_kspace_regular(class KSpace *, int, int, int,

  void reverse_comm_kspace_regular(class KSpace *, int, int,

                                   FFT_DAT::tdual_FFT_SCALAR_1d &, FFT_DAT::tdual_FFT_SCALAR_1d &, MPI_Datatype);

  void reverse_comm_kspace_tiled(class KSpace *, int, int, int,

  void reverse_comm_kspace_tiled(class KSpace *, int, int,

                                 FFT_DAT::tdual_FFT_SCALAR_1d &, FFT_DAT::tdual_FFT_SCALAR_1d &, MPI_Datatype);



  void grow_swap();

src/KOKKOS/pppm_kokkos.cpp

+5 −7
Original line number Diff line number Diff line
@@ -653,7 +653,7 @@ void PPPMKokkos<DeviceType>::compute(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->reverse_comm_kspace(this,1,REVERSE_RHO,

                          k_gc_buf1,k_gc_buf2,MPI_FFT_SCALAR);

  brick2fft();
@@ -667,13 +667,13 @@ void PPPMKokkos<DeviceType>::compute(int eflag, int vflag) 
  // all procs communicate E-field values

  // to fill ghost cells surrounding their 3d bricks



  gc->forward_comm_kspace(this,3,sizeof(FFT_SCALAR),FORWARD_IK,

  gc->forward_comm_kspace(this,3,FORWARD_IK,

			  k_gc_buf1,k_gc_buf2,MPI_FFT_SCALAR);



  // extra per-atom energy/virial communication



  if (evflag_atom)

      gc->forward_comm_kspace(this,7,sizeof(FFT_SCALAR),FORWARD_IK_PERATOM,

      gc->forward_comm_kspace(this,7,FORWARD_IK_PERATOM,

                              k_gc_buf1,k_gc_buf2,MPI_FFT_SCALAR);



  // calculate the force on my particles
@@ -842,8 +842,7 @@ void PPPMKokkos<DeviceType>::allocate() 


  gc->setup(ngc_buf1,ngc_buf2);



  if (differentiation_flag) npergrid = 1;

   else npergrid = 3;

  npergrid = 3;



  k_gc_buf1 = FFT_DAT::tdual_FFT_SCALAR_1d("pppm:gc_buf1",npergrid*ngc_buf1);

  k_gc_buf2 = FFT_DAT::tdual_FFT_SCALAR_1d("pppm:gc_buf2",npergrid*ngc_buf2);
@@ -897,8 +896,7 @@ void PPPMKokkos<DeviceType>::allocate_peratom() 
  // use same GC ghost grid object for peratom grid communication

   // but need to reallocate a larger gc_buf1 and gc_buf2



  if (differentiation_flag) npergrid = 6;

   else npergrid = 7;

  npergrid = 7;



  k_gc_buf1 = FFT_DAT::tdual_FFT_SCALAR_1d("pppm:gc_buf1",npergrid*ngc_buf1);

  k_gc_buf2 = FFT_DAT::tdual_FFT_SCALAR_1d("pppm:gc_buf2",npergrid*ngc_buf2);

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