ICODE-ADC/lammps
4
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Reduce memory churn in fix_rx_kokkos

Browse Source
This commit is contained in:
Stan Moore
2017-06-08 09:52:00 -06:00
parent 611bb6f130
commit 6f24c58c1a
1 changed files with 32 additions and 20 deletions
Download Patch File Download Diff File Expand all files Collapse all files

52
src/KOKKOS/fix_rx_kokkos.cpp
View File

@ -79,6 +79,17 @@ FixRxKokkos<DeviceType>::~FixRxKokkos()
{
//printf("Inside FixRxKokkos::~FixRxKokkos copymode= %d\n", copymode);
if (copymode) return;
if (localTempFlag)
memory->destroy_kokkos(k_dpdThetaLocal, dpdThetaLocal);
memory->destroy_kokkos(k_sumWeights, sumWeights);
//memory->destroy_kokkos(k_sumWeights);
//delete [] scratchSpace;
memory->destroy_kokkos(d_scratchSpace);
memory->destroy_kokkos(k_cutsq);
}
/* ---------------------------------------------------------------------- */
@ -1433,9 +1444,12 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
{
const int count = nlocal + (newton_pair ? nghost : 0);
memory->create_kokkos (k_dpdThetaLocal, dpdThetaLocal, count, "FixRxKokkos::dpdThetaLocal");
this->d_dpdThetaLocal = k_dpdThetaLocal.d_view;
this->h_dpdThetaLocal = k_dpdThetaLocal.h_view;
if (count > k_dpdThetaLocal.d_view.dimension_0()) {
memory->destroy_kokkos (k_dpdThetaLocal, dpdThetaLocal);
memory->create_kokkos (k_dpdThetaLocal, dpdThetaLocal, count, "FixRxKokkos::dpdThetaLocal");
this->d_dpdThetaLocal = k_dpdThetaLocal.d_view;
this->h_dpdThetaLocal = k_dpdThetaLocal.h_view;
}
const int neighflag = lmp->kokkos->neighflag;
@ -1527,7 +1541,10 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
//double *scratchSpace = new double[ scratchSpaceSize * nlocal ];
//typename ArrayTypes<DeviceType>::t_double_1d d_scratchSpace("d_scratchSpace", scratchSpaceSize * nlocal);
memory->create_kokkos (d_scratchSpace, nlocal*scratchSpaceSize, "FixRxKokkos::d_scratchSpace");
if (nlocal*scratchSpaceSize > d_scratchSpace.dimension_0()) {
memory->destroy_kokkos (d_scratchSpace);
memory->create_kokkos (d_scratchSpace, nlocal*scratchSpaceSize, "FixRxKokkos::d_scratchSpace");
}
#if 0
Kokkos::parallel_reduce( nlocal, LAMMPS_LAMBDA(int i, CounterType &counter)
@ -1630,9 +1647,6 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
Kokkos::parallel_reduce( Kokkos::RangePolicy<DeviceType, Tag_FixRxKokkos_solveSystems<false> >(0,nlocal), *this, TotalCounters);
#endif
//delete [] scratchSpace;
memory->destroy_kokkos (d_scratchSpace);
TimerType timer_ODE = getTimeStamp();
// Check the error flag for any failures.
@ -1651,9 +1665,6 @@ void FixRxKokkos<DeviceType>::solve_reactions(const int vflag, const bool isPreF
atomKK->modified ( Host, DVECTOR_MASK );
if (localTempFlag)
memory->destroy_kokkos(k_dpdThetaLocal, dpdThetaLocal);
TimerType timer_stop = getTimeStamp();
double time_ODE = getElapsedTime(timer_localTemperature, timer_ODE);
@ -2012,8 +2023,11 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature()
const int ntypes = atom->ntypes;
//memory->create_kokkos (k_cutsq, h_cutsq, ntypes+1, ntypes+1, "pair:cutsq");
memory->create_kokkos (k_cutsq, ntypes+1, ntypes+1, "FixRxKokkos::k_cutsq");
d_cutsq = k_cutsq.template view<DeviceType>();
if (ntypes+1 > k_cutsq.dimension_0()) {
memory->destroy_kokkos (k_cutsq);
memory->create_kokkos (k_cutsq, ntypes+1, ntypes+1, "FixRxKokkos::k_cutsq");
d_cutsq = k_cutsq.template view<DeviceType>();
}
for (int i = 1; i <= ntypes; ++i)
for (int j = i; j <= ntypes; ++j)
@ -2030,9 +2044,12 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature()
int sumWeightsCt = nlocal + (NEWTON_PAIR ? nghost : 0);
//memory->create_kokkos (k_sumWeights, sumWeights, sumWeightsCt, "FixRxKokkos::sumWeights");
memory->create_kokkos (k_sumWeights, sumWeightsCt, "FixRxKokkos::sumWeights");
d_sumWeights = k_sumWeights.d_view;
h_sumWeights = k_sumWeights.h_view;
if (sumWeightsCt > k_sumWeights.d_view.dimension_0()) {
memory->destroy_kokkos(k_sumWeights, sumWeights);
memory->create_kokkos (k_sumWeights, sumWeightsCt, "FixRxKokkos::sumWeights");
d_sumWeights = k_sumWeights.d_view;
h_sumWeights = k_sumWeights.h_view;
}
// Initialize the accumulator to zero ...
//Kokkos::parallel_for (sumWeightsCt,
@ -2165,11 +2182,6 @@ void FixRxKokkos<DeviceType>::computeLocalTemperature()
Kokkos::parallel_for (Kokkos::RangePolicy<DeviceType, Tag_FixRxKokkos_2ndPairOperator<WT_FLAG, LOCAL_TEMP_FLAG> >(0, nlocal), *this);
#endif
// Clean up the local kokkos data.
//memory->destroy_kokkos(k_cutsq, h_cutsq);
memory->destroy_kokkos(k_cutsq);
//memory->destroy_kokkos(k_sumWeights, sumWeights);
memory->destroy_kokkos(k_sumWeights);
}
/* ---------------------------------------------------------------------- */