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Add missing sync/modify to fix_shardlow_kokkos

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This commit is contained in:
Stan Moore
2017-06-09 10:57:35 -06:00
parent c51cadcc6c
commit 3c8e75ad59
2 changed files with 19 additions and 10 deletions
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27
src/KOKKOS/fix_shardlow_kokkos.cpp
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@ -73,11 +73,11 @@ FixShardlowKokkos<DeviceType>::FixShardlowKokkos(LAMMPS *lmp, int narg, char **a
FixShardlow(lmp, narg, arg), k_pairDPDE(NULL), ghostmax(0), nlocal(0) , nghost(0)
{
kokkosable = 1;
// atomKK = (AtomKokkos *) atom;
// execution_space = ExecutionSpaceFromDevice<DeviceType>::space;
atomKK = (AtomKokkos *) atom;
execution_space = ExecutionSpaceFromDevice<DeviceType>::space;
// datamask_read = X_MASK | V_MASK | F_MASK | MASK_MASK | Q_MASK | TYPE_MASK;
// datamask_modify = Q_MASK | X_MASK;
datamask_read = EMPTY_MASK;
datamask_modify = EMPTY_MASK;
if (narg != 3) error->all(FLERR,"Illegal fix shardlow command");
@ -167,6 +167,7 @@ void FixShardlowKokkos<DeviceType>::init()
//FIXME either create cutsq and fill it in, or just point to pairDPD's...
// memory->destroy(cutsq); //FIXME
// memory->create_kokkos(k_cutsq,cutsq,ntypes+1,ntypes+1,"FixShardlowKokkos:cutsq");
k_pairDPDE->k_cutsq.template sync<DeviceType>();
d_cutsq = k_pairDPDE->k_cutsq.template view<DeviceType>(); //FIXME
const double boltz2 = 2.0*force->boltz;
@ -288,10 +289,6 @@ void FixShardlowKokkos<DeviceType>::ssa_update_dpd(
rand_type rand_gen = rand_pool.get_state(id);
#endif
const double theta_ij_inv = 1.0/k_pairDPD->temperature; // independent of i,j
const double boltz_inv = 1.0/force->boltz;
const double ftm2v = force->ftm2v;
const double dt = update->dt;
int ct = count;
int ii = start_ii;
@ -677,20 +674,24 @@ void FixShardlowKokkos<DeviceType>::initial_integrate(int vflag)
deep_copy(d_hist, h_hist);
#endif
//theta_ij_inv = 1.0/k_pairDPD->temperature; // independent of i,j
boltz_inv = 1.0/force->boltz;
ftm2v = force->ftm2v;
dt = update->dt;
k_params.template sync<DeviceType>();
// process neighbors in the local AIR
atomKK->sync(execution_space,X_MASK | V_MASK | TYPE_MASK | RMASS_MASK | UCOND_MASK | UMECH_MASK | DPDTHETA_MASK);
for (workPhase = 0; workPhase < ssa_phaseCt; ++workPhase) {
int workItemCt = h_ssa_phaseLen[workPhase];
if(atom->ntypes > MAX_TYPES_STACKPARAMS)
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagFixShardlowSSAUpdateDPDE<false> >(0,workItemCt),*this);
else
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagFixShardlowSSAUpdateDPDE<true> >(0,workItemCt),*this);
}
atomKK->modified(execution_space,V_MASK | UCOND_MASK | UMECH_MASK);
//Loop over all 13 outward directions (7 stages)
for (workPhase = 0; workPhase < ssa_gphaseCt; ++workPhase) {
@ -698,7 +699,9 @@ void FixShardlowKokkos<DeviceType>::initial_integrate(int vflag)
int workItemCt = h_ssa_gphaseLen[workPhase];
// Communicate the updated velocities to all nodes
atomKK->sync(Host,V_MASK);
comm->forward_comm_fix(this);
atomKK->modified(Host,V_MASK);
if(k_pairDPDE){
// Zero out the ghosts' uCond & uMech to be used as delta accumulators
@ -706,6 +709,7 @@ void FixShardlowKokkos<DeviceType>::initial_integrate(int vflag)
// memset(&(atom->uMech[nlocal]), 0, sizeof(double)*nghost);
// must capture local variables, not class variables
atomKK->sync(execution_space,UCOND_MASK | UMECH_MASK);
auto l_uCond = uCond;
auto l_uMech = uMech;
Kokkos::parallel_for(Kokkos::RangePolicy<LMPDeviceType>(nlocal,nlocal+nghost), LAMMPS_LAMBDA (const int i) {
@ -713,16 +717,21 @@ void FixShardlowKokkos<DeviceType>::initial_integrate(int vflag)
l_uMech(i) = 0.0;
});
DeviceType::fence();
atomKK->modified(execution_space,UCOND_MASK | UMECH_MASK);
}
// process neighbors in this AIR
atomKK->sync(execution_space,X_MASK | V_MASK | TYPE_MASK | RMASS_MASK | UCOND_MASK | UMECH_MASK | DPDTHETA_MASK);
if(atom->ntypes > MAX_TYPES_STACKPARAMS)
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagFixShardlowSSAUpdateDPDEGhost<false> >(0,workItemCt),*this);
else
Kokkos::parallel_for(Kokkos::RangePolicy<DeviceType,TagFixShardlowSSAUpdateDPDEGhost<true> >(0,workItemCt),*this);
atomKK->modified(execution_space,V_MASK | UCOND_MASK | UMECH_MASK);
// Communicate the ghost deltas to the atom owners
atomKK->sync(Host,V_MASK | UCOND_MASK | UMECH_MASK);
comm->reverse_comm_fix(this);
atomKK->modified(Host,V_MASK | UCOND_MASK | UMECH_MASK);
} //End Loop over all directions For airnum = Top, Top-Right, Right, Bottom-Right, Back

2
src/KOKKOS/fix_shardlow_kokkos.h
View File

@ -83,7 +83,7 @@ class FixShardlowKokkos : public FixShardlow {
protected:
int workPhase;
double boltz_inv,ftm2v,dt;
double theta_ij_inv,boltz_inv,ftm2v,dt;
// class PairDPDfdt *pairDPD;
PairDPDfdtEnergyKokkos<DeviceType> *k_pairDPDE;