diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index 2e7f720b61..ef004cf29e 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -1273,9 +1273,9 @@ void PairReaxFFKokkos::operator()(PairReaxFFComputeLJCoulomb::operator()(PairReaxBuildListsHalf, #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::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::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