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Use tuned blocking sizes from experiment

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Change-Id: I08a837d9632a45dabd3331108314d3ffc328338c
This commit is contained in:
Nick Curtis
2021-06-01 10:36:35 -04:00
parent ff2751bf91
commit 8e140b4fcd
1 changed files with 9 additions and 10 deletions
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19
src/KOKKOS/pair_reaxff_kokkos.cpp
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@ -1273,9 +1273,9 @@ void PairReaxFFKokkos<DeviceType>::operator()(PairReaxFFComputeLJCoulomb<NEIGHFL
fxtmp = fytmp = fztmp = 0.0;
#ifdef HIP_OPT_PAIRREAXLJCOULOMB_BLOCKING
unsigned short int BLK_SZ=80;
const unsigned short int BLK_SZ=64;
unsigned short int nnz;
unsigned short int selected_jj[80];
unsigned short int selected_jj[BLK_SZ];
int jj_current = 0;
while (jj_current < jnum) {
@ -2068,9 +2068,9 @@ void PairReaxFFKokkos<DeviceType>::operator()(PairReaxBuildListsHalf<NEIGHFLAG>,
#ifdef HIP_OPT_PAIRREAXBUILDLISTSHALF_BLOCKING
unsigned short int BLK_SZ=80;
const unsigned short int BLK_SZ=64;
unsigned short int nnz;
unsigned short int selected_jj[80];
unsigned short int selected_jj[BLK_SZ];
unsigned short int jj_current = 0;
@ -3698,9 +3698,9 @@ void PairReaxFFKokkos<DeviceType>::operator()(PairReaxFFComputeTorsion_with_BLOC
F_FLOAT CdDelta_i = 0.0;
unsigned char BLK_SZ=1;
unsigned char nnz_jj;
unsigned char selected_jj[1];
const unsigned short int BLK_SZ=8;
unsigned short int nnz_jj;
unsigned short int selected_jj[BLK_SZ];
#ifdef HIP_OPT_TORSION_PREVIEW
unsigned int jj_current = jj_start;
#else
@ -3788,9 +3788,8 @@ void PairReaxFFKokkos<DeviceType>::operator()(PairReaxFFComputeTorsion_with_BLOC
for(int k = 0; k < 3; k++) fjtmp[k] = 0.0;
F_FLOAT CdDelta_j = 0.0;
unsigned char nnz_kk;
unsigned char selected_kk[1];
unsigned short int nnz_kk;
unsigned short int selected_kk[BLK_SZ];
#ifdef HIP_OPT_TORSION_PREVIEW
unsigned int kk_current = kk_start;
#else