Commit aeb7fec2 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12814 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent 9f649c31

src/KOKKOS/comm_kokkos.cpp

+16 −21
Original line number Diff line number Diff line
@@ -166,7 +166,6 @@ void CommKokkos::forward_comm_device(int dummy) 
{

  int n;

  MPI_Request request;

  MPI_Status status;

  AtomVecKokkos *avec = (AtomVecKokkos *) atom->avec;

  double **x = atom->x;

  double *buf;
@@ -199,7 +198,7 @@ void CommKokkos::forward_comm_device(int dummy) 
                   n,MPI_DOUBLE,sendproc[iswap],0,world);

        }



        if (size_forward_recv[iswap]) MPI_Wait(&request,&status);

        if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);

        atomKK->modified(ExecutionSpaceFromDevice<DeviceType>::

                         space,X_MASK);

      } else if (ghost_velocity) {
@@ -212,7 +211,7 @@ void CommKokkos::forward_comm_device(int dummy) 
        n = avec->pack_comm_vel(sendnum[iswap],sendlist[iswap],

                                buf_send,pbc_flag[iswap],pbc[iswap]);

        if (n) MPI_Send(buf_send,n,MPI_DOUBLE,sendproc[iswap],0,world);

        if (size_forward_recv[iswap]) MPI_Wait(&request,&status);

        if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);

        avec->unpack_comm_vel(recvnum[iswap],firstrecv[iswap],buf_recv);

      } else {

        if (size_forward_recv[iswap])
@@ -224,7 +223,7 @@ void CommKokkos::forward_comm_device(int dummy) 
        if (n)

          MPI_Send(k_buf_send.view<DeviceType>().ptr_on_device(),n,

                   MPI_DOUBLE,sendproc[iswap],0,world);

        if (size_forward_recv[iswap]) MPI_Wait(&request,&status);

        if (size_forward_recv[iswap]) MPI_Wait(&request,MPI_STATUS_IGNORE);

        avec->unpack_comm_kokkos(recvnum[iswap],firstrecv[iswap],k_buf_recv);

      }
@@ -258,16 +257,16 @@ void CommKokkos::reverse_comm() 
  atomKK->sync(Device,ALL_MASK);

}



void CommKokkos::forward_comm_fix(Fix *fix)

void CommKokkos::forward_comm_fix(Fix *fix, int size)

{

  k_sendlist.sync<LMPHostType>();

  CommBrick::forward_comm_fix(fix);

  CommBrick::forward_comm_fix(fix,size);

}



void CommKokkos::reverse_comm_fix(Fix *fix)

void CommKokkos::reverse_comm_fix(Fix *fix, int size)

{

  k_sendlist.sync<LMPHostType>();

  CommBrick::reverse_comm_fix(fix);

  CommBrick::reverse_comm_fix(fix, size);

}



void CommKokkos::forward_comm_compute(Compute *compute)
@@ -388,12 +387,11 @@ struct BuildExchangeListFunctor { 
template<class DeviceType>

void CommKokkos::exchange_device()

{

  int i,m,nsend,nrecv,nrecv1,nrecv2,nlocal;

  double lo,hi,value;

  int i,nsend,nrecv,nrecv1,nrecv2,nlocal;

  double lo,hi;

  double **x;

  double *sublo,*subhi,*buf;

  double *sublo,*subhi;

  MPI_Request request;

  MPI_Status status;

  AtomVecKokkos *avec = (AtomVecKokkos *) atom->avec;



  // clear global->local map for owned and ghost atoms
@@ -496,7 +494,6 @@ void CommKokkos::exchange_device() 


    if (procgrid[dim] == 1) {

      nrecv = nsend;

      buf = buf_send;

      if (nrecv) {

        atom->nlocal=avec->

          unpack_exchange_kokkos(k_buf_send,nrecv,atom->nlocal,dim,lo,hi,
@@ -505,11 +502,11 @@ void CommKokkos::exchange_device() 
      }

    } else {

      MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][0],0,

                   &nrecv1,1,MPI_INT,procneigh[dim][1],0,world,&status);

                   &nrecv1,1,MPI_INT,procneigh[dim][1],0,world,MPI_STATUS_IGNORE);

      nrecv = nrecv1;

      if (procgrid[dim] > 2) {

        MPI_Sendrecv(&nsend,1,MPI_INT,procneigh[dim][1],0,

                     &nrecv2,1,MPI_INT,procneigh[dim][0],0,world,&status);

                     &nrecv2,1,MPI_INT,procneigh[dim][0],0,world,MPI_STATUS_IGNORE);

        nrecv += nrecv2;

      }

      if (nrecv > maxrecv) grow_recv_kokkos(nrecv);
@@ -519,7 +516,7 @@ void CommKokkos::exchange_device() 
                world,&request);

      MPI_Send(k_buf_send.view<DeviceType>().ptr_on_device(),nsend,

               MPI_DOUBLE,procneigh[dim][0],0,world);

      MPI_Wait(&request,&status);

      MPI_Wait(&request,MPI_STATUS_IGNORE);



      if (procgrid[dim] > 2) {

        MPI_Irecv(k_buf_recv.view<DeviceType>().ptr_on_device()+nrecv1,
@@ -527,10 +524,9 @@ void CommKokkos::exchange_device() 
                  world,&request);

        MPI_Send(k_buf_send.view<DeviceType>().ptr_on_device(),nsend,

                 MPI_DOUBLE,procneigh[dim][1],0,world);

        MPI_Wait(&request,&status);

        MPI_Wait(&request,MPI_STATUS_IGNORE);

      }



      buf = buf_recv;

      if (nrecv) {

        atom->nlocal = avec->

          unpack_exchange_kokkos(k_buf_recv,nrecv,atom->nlocal,dim,lo,hi,
@@ -643,7 +639,6 @@ void CommKokkos::borders_device() { 
  double **x;

  double *buf,*mlo,*mhi;

  MPI_Request request;

  MPI_Status status;

  AtomVecKokkos *avec = (AtomVecKokkos *) atom->avec;



  ExecutionSpace exec_space = ExecutionSpaceFromDevice<DeviceType>::space;
@@ -799,14 +794,14 @@ void CommKokkos::borders_device() { 


      if (sendproc[iswap] != me) {

        MPI_Sendrecv(&nsend,1,MPI_INT,sendproc[iswap],0,

                     &nrecv,1,MPI_INT,recvproc[iswap],0,world,&status);

                     &nrecv,1,MPI_INT,recvproc[iswap],0,world,MPI_STATUS_IGNORE);

        if (nrecv*size_border > maxrecv) grow_recv_kokkos(nrecv*size_border);

        if (nrecv) MPI_Irecv(k_buf_recv.view<DeviceType>().ptr_on_device(),

                             nrecv*size_border,MPI_DOUBLE,

                             recvproc[iswap],0,world,&request);

        if (n) MPI_Send(k_buf_send.view<DeviceType>().ptr_on_device(),n,

                        MPI_DOUBLE,sendproc[iswap],0,world);

        if (nrecv) MPI_Wait(&request,&status);

        if (nrecv) MPI_Wait(&request,MPI_STATUS_IGNORE);

        buf = buf_recv;

      } else {

        nrecv = nsend;

src/KOKKOS/comm_kokkos.h

+2 −2
Original line number Diff line number Diff line
@@ -39,8 +39,8 @@ class CommKokkos : public CommBrick { 


  void forward_comm_pair(class Pair *);    // forward comm from a Pair

  void reverse_comm_pair(class Pair *);    // reverse comm from a Pair

  void forward_comm_fix(class Fix *);      // forward comm from a Fix

  void reverse_comm_fix(class Fix *);      // reverse comm from a Fix

  void forward_comm_fix(class Fix *, int size=0);      // forward comm from a Fix

  void reverse_comm_fix(class Fix *, int size=0);      // reverse comm from a Fix

  void forward_comm_compute(class Compute *);  // forward from a Compute

  void reverse_comm_compute(class Compute *);  // reverse from a Compute

  void forward_comm_dump(class Dump *);    // forward comm from a Dump

src/KOKKOS/pair_coul_cut_kokkos.cpp

+0 −1
Original line number Diff line number Diff line
@@ -80,7 +80,6 @@ void PairCoulCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 


  if (neighflag == FULL || neighflag == FULLCLUSTER) no_virial_fdotr_compute = 1;



  double ecoul = 0.0;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = vflag_fdotr = 0;

src/KOKKOS/pair_lj_cut_coul_cut_kokkos.cpp

+0 −2
Original line number Diff line number Diff line
@@ -89,8 +89,6 @@ void PairLJCutCoulCutKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 


  if (neighflag == FULL || neighflag == FULLCLUSTER) no_virial_fdotr_compute = 1;



  double evdwl = 0.0;

  double ecoul = 0.0;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = vflag_fdotr = 0;

src/KOKKOS/pair_lj_cut_coul_long_kokkos.cpp

+1 −3
Original line number Diff line number Diff line
@@ -59,7 +59,7 @@ PairLJCutCoulLongKokkos<DeviceType>::PairLJCutCoulLongKokkos(LAMMPS *lmp):PairLJ 
  datamask_modify = F_MASK | ENERGY_MASK | VIRIAL_MASK;

  cutsq = NULL;

  cut_ljsq = NULL;

  cut_coulsq = NULL;

  cut_coulsq = 0.0;



}
@@ -97,8 +97,6 @@ void PairLJCutCoulLongKokkos<DeviceType>::compute(int eflag_in, int vflag_in) 


  if (neighflag == FULL || neighflag == FULLCLUSTER) no_virial_fdotr_compute = 1;



  double evdwl = 0.0;

  double ecoul = 0.0;

  if (eflag || vflag) ev_setup(eflag,vflag);

  else evflag = vflag_fdotr = 0;

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