From 7e31a4f482014781fa4eb41e92205e151e2ec00e Mon Sep 17 00:00:00 2001 From: Stan Moore Date: Mon, 23 Sep 2024 16:14:06 -0600 Subject: [PATCH] Simplify view deallocation code --- src/KOKKOS/fix_acks2_reaxff_kokkos.cpp | 4 +- src/KOKKOS/fix_qeq_reaxff_kokkos.cpp | 2 +- src/KOKKOS/fix_shake_kokkos.cpp | 4 +- src/KOKKOS/meam_dens_init_kokkos.h | 26 +++++------ src/KOKKOS/meam_force_kokkos.h | 6 +-- src/KOKKOS/pair_adp_kokkos.cpp | 12 ++--- src/KOKKOS/pair_dpd_ext_kokkos.cpp | 6 +-- src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp | 4 +- src/KOKKOS/pair_dpd_kokkos.cpp | 6 +-- src/KOKKOS/pair_dpd_tstat_kokkos.cpp | 4 +- src/KOKKOS/pair_eam_alloy_kokkos.cpp | 8 ++-- src/KOKKOS/pair_eam_fs_kokkos.cpp | 8 ++-- src/KOKKOS/pair_eam_kokkos.cpp | 8 ++-- src/KOKKOS/pair_pace_extrapolation_kokkos.cpp | 4 +- src/KOKKOS/pair_pace_kokkos.cpp | 4 +- src/KOKKOS/pair_reaxff_kokkos.cpp | 44 +++++++++---------- src/KOKKOS/pair_snap_kokkos_impl.h | 4 +- src/KOKKOS/pair_sw_kokkos.cpp | 6 +-- src/KOKKOS/pair_tersoff_kokkos.cpp | 6 +-- src/KOKKOS/pair_tersoff_mod_kokkos.cpp | 6 +-- src/KOKKOS/pair_tersoff_zbl_kokkos.cpp | 6 +-- 21 files changed, 89 insertions(+), 89 deletions(-) diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp index c0b263d736..bfcb66e525 100644 --- a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp @@ -365,7 +365,7 @@ void FixACKS2ReaxFFKokkos::pre_force(int /*vflag*/) // free duplicated memory - dup_X_diag = decltype(dup_X_diag)(); + dup_X_diag = {}; } if (neighflag != FULL) { @@ -1419,7 +1419,7 @@ void FixACKS2ReaxFFKokkos::sparse_matvec_acks2(typename AT::t_ffloat // free duplicated memory - dup_bb = decltype(dup_bb)(); + dup_bb = {}; } } diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp index f93f6cb70e..7ef4505b06 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp @@ -291,7 +291,7 @@ void FixQEqReaxFFKokkos::pre_force(int /*vflag*/) // free duplicated memory if (need_dup) - dup_o = decltype(dup_o)(); + dup_o = {}; atomKK->modified(execution_space,datamask_modify); diff --git a/src/KOKKOS/fix_shake_kokkos.cpp b/src/KOKKOS/fix_shake_kokkos.cpp index 47f932d8f2..52826d7b04 100644 --- a/src/KOKKOS/fix_shake_kokkos.cpp +++ b/src/KOKKOS/fix_shake_kokkos.cpp @@ -459,8 +459,8 @@ void FixShakeKokkos::post_force(int vflag) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/meam_dens_init_kokkos.h b/src/KOKKOS/meam_dens_init_kokkos.h index 68e69430fd..dd63be96bd 100644 --- a/src/KOKKOS/meam_dens_init_kokkos.h +++ b/src/KOKKOS/meam_dens_init_kokkos.h @@ -294,20 +294,20 @@ MEAMKokkos::meam_dens_init(int inum_half, int ntype, typename AT::t_ Kokkos::Experimental::contribute(d_arho3mb, dup_arho3mb); // free duplicated memory - dup_rho0 = decltype(dup_rho0)(); - dup_arho2b = decltype(dup_arho2b)(); - dup_arho1 = decltype(dup_arho1)(); - dup_arho2 = decltype(dup_arho2)(); - dup_arho3 = decltype(dup_arho3)(); - dup_arho3b = decltype(dup_arho3b)(); - dup_t_ave = decltype(dup_t_ave)(); - dup_tsq_ave = decltype(dup_tsq_ave)(); + dup_rho0 = {}; + dup_arho2b = {}; + dup_arho1 = {}; + dup_arho2 = {}; + dup_arho3 = {}; + dup_arho3b = {}; + dup_t_ave = {}; + dup_tsq_ave = {}; // msmeam - dup_arho2mb = decltype(dup_arho2mb)(); - dup_arho1m = decltype(dup_arho1m)(); - dup_arho2m = decltype(dup_arho2m)(); - dup_arho3m = decltype(dup_arho3m)(); - dup_arho3mb = decltype(dup_arho3mb)(); + dup_arho2mb = {}; + dup_arho1m = {}; + dup_arho2m = {}; + dup_arho3m = {}; + dup_arho3mb = {}; } } diff --git a/src/KOKKOS/meam_force_kokkos.h b/src/KOKKOS/meam_force_kokkos.h index a546ab54d4..1875e22dcf 100644 --- a/src/KOKKOS/meam_force_kokkos.h +++ b/src/KOKKOS/meam_force_kokkos.h @@ -75,9 +75,9 @@ void MEAMKokkos::meam_force( if (vflag_atom) Kokkos::Experimental::contribute(d_vatom, dup_vatom); // free duplicated memory - dup_f = decltype(dup_f)(); - if (eflag_atom) dup_eatom = decltype(dup_eatom)(); - if (vflag_atom) dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + if (eflag_atom) dup_eatom = {}; + if (vflag_atom) dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_adp_kokkos.cpp b/src/KOKKOS/pair_adp_kokkos.cpp index 1297d62651..999a67ca49 100644 --- a/src/KOKKOS/pair_adp_kokkos.cpp +++ b/src/KOKKOS/pair_adp_kokkos.cpp @@ -297,12 +297,12 @@ void PairADPKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_rho = decltype(dup_rho)(); - dup_mu = decltype(dup_mu)(); - dup_lambda = decltype(dup_lambda)(); - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_rho = {}; + dup_mu = {}; + dup_lambda = {}; + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_dpd_ext_kokkos.cpp b/src/KOKKOS/pair_dpd_ext_kokkos.cpp index 636235d1c8..95c9d304f3 100644 --- a/src/KOKKOS/pair_dpd_ext_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_ext_kokkos.cpp @@ -207,9 +207,9 @@ void PairDPDExtKokkos::compute(int eflagin, int vflagin) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp b/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp index 213b344fbb..91d1183957 100644 --- a/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_ext_tstat_kokkos.cpp @@ -212,8 +212,8 @@ void PairDPDExtTstatKokkos::compute(int eflagin, int vflagin) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_dpd_kokkos.cpp b/src/KOKKOS/pair_dpd_kokkos.cpp index f888b5f6ce..0ebf8ccae0 100644 --- a/src/KOKKOS/pair_dpd_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_kokkos.cpp @@ -207,9 +207,9 @@ void PairDPDKokkos::compute(int eflagin, int vflagin) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_dpd_tstat_kokkos.cpp b/src/KOKKOS/pair_dpd_tstat_kokkos.cpp index 63dbda3b59..d51cce629a 100644 --- a/src/KOKKOS/pair_dpd_tstat_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_tstat_kokkos.cpp @@ -211,8 +211,8 @@ void PairDPDTstatKokkos::compute(int eflagin, int vflagin) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index b02faced1e..90a82616a6 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -309,10 +309,10 @@ void PairEAMAlloyKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_rho = decltype(dup_rho)(); - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_rho = {}; + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index 4da146e68e..11719a8979 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -309,10 +309,10 @@ void PairEAMFSKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_rho = decltype(dup_rho)(); - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_rho = {}; + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index 54ffa84f2d..1e870555dc 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -304,10 +304,10 @@ void PairEAMKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_rho = decltype(dup_rho)(); - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_rho = {}; + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_pace_extrapolation_kokkos.cpp b/src/KOKKOS/pair_pace_extrapolation_kokkos.cpp index 58ba8d6c1a..746055f28c 100644 --- a/src/KOKKOS/pair_pace_extrapolation_kokkos.cpp +++ b/src/KOKKOS/pair_pace_extrapolation_kokkos.cpp @@ -808,8 +808,8 @@ void PairPACEExtrapolationKokkos::compute(int eflag_in, int vflag_in // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_pace_kokkos.cpp b/src/KOKKOS/pair_pace_kokkos.cpp index 8d05c26239..0afbb7540e 100644 --- a/src/KOKKOS/pair_pace_kokkos.cpp +++ b/src/KOKKOS/pair_pace_kokkos.cpp @@ -753,8 +753,8 @@ void PairPACEKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_reaxff_kokkos.cpp b/src/KOKKOS/pair_reaxff_kokkos.cpp index d3c4214608..b0a53a27fd 100644 --- a/src/KOKKOS/pair_reaxff_kokkos.cpp +++ b/src/KOKKOS/pair_reaxff_kokkos.cpp @@ -118,10 +118,10 @@ void PairReaxFFKokkos::deallocate_views_of_views() for (int i = 0; i < (int)k_LR.extent(0); i++) { for (int j = 0; j < (int)k_LR.extent(1); j++) { - k_LR.h_view(i,j).d_vdW = decltype(k_LR.h_view(i,j).d_vdW )(); - k_LR.h_view(i,j).d_CEvd = decltype(k_LR.h_view(i,j).d_CEvd )(); - k_LR.h_view(i,j).d_ele = decltype(k_LR.h_view(i,j).d_ele )(); - k_LR.h_view(i,j).d_CEclmb = decltype(k_LR.h_view(i,j).d_CEclmb)(); + k_LR.h_view(i,j).d_vdW = {}; + k_LR.h_view(i,j).d_CEvd = {}; + k_LR.h_view(i,j).d_ele = {}; + k_LR.h_view(i,j).d_CEclmb = {}; } } } @@ -1101,19 +1101,19 @@ void PairReaxFFKokkos::compute(int eflag_in, int vflag_in) // free scatterview memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); - dup_dDeltap_self = decltype(dup_dDeltap_self)(); - dup_total_bo = decltype(dup_total_bo)(); - dup_CdDelta = decltype(dup_CdDelta)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; + dup_dDeltap_self = {}; + dup_total_bo = {}; + dup_CdDelta = {}; } else { - ndup_f = decltype(ndup_f)(); - ndup_eatom = decltype(ndup_eatom)(); - ndup_vatom = decltype(ndup_vatom)(); - ndup_dDeltap_self = decltype(ndup_dDeltap_self)(); - ndup_total_bo = decltype(ndup_total_bo)(); - ndup_CdDelta = decltype(ndup_CdDelta)(); + ndup_f = {}; + ndup_eatom = {}; + ndup_vatom = {}; + ndup_dDeltap_self = {}; + ndup_total_bo = {}; + ndup_CdDelta = {}; } d_neighbors = typename AT::t_neighbors_2d(); @@ -1501,13 +1501,13 @@ void PairReaxFFKokkos::allocate_array() { // free scatterview memory if (need_dup) { - dup_dDeltap_self = decltype(dup_dDeltap_self)(); - dup_total_bo = decltype(dup_total_bo)(); - dup_CdDelta = decltype(dup_CdDelta)(); + dup_dDeltap_self = {}; + dup_total_bo = {}; + dup_CdDelta = {}; } else { - ndup_dDeltap_self = decltype(ndup_dDeltap_self)(); - ndup_total_bo = decltype(ndup_total_bo)(); - ndup_CdDelta = decltype(ndup_CdDelta)(); + ndup_dDeltap_self = {}; + ndup_total_bo = {}; + ndup_CdDelta = {}; } if (cut_hbsq > 0.0) { diff --git a/src/KOKKOS/pair_snap_kokkos_impl.h b/src/KOKKOS/pair_snap_kokkos_impl.h index 839240c62f..97c7d17ea9 100644 --- a/src/KOKKOS/pair_snap_kokkos_impl.h +++ b/src/KOKKOS/pair_snap_kokkos_impl.h @@ -525,8 +525,8 @@ void PairSNAPKokkos::compute(int eflag_in, // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_sw_kokkos.cpp b/src/KOKKOS/pair_sw_kokkos.cpp index 01b856a7b5..d62af5a78f 100644 --- a/src/KOKKOS/pair_sw_kokkos.cpp +++ b/src/KOKKOS/pair_sw_kokkos.cpp @@ -186,9 +186,9 @@ void PairSWKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_tersoff_kokkos.cpp b/src/KOKKOS/pair_tersoff_kokkos.cpp index 1a0d45e435..c2099f95b5 100644 --- a/src/KOKKOS/pair_tersoff_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_kokkos.cpp @@ -293,9 +293,9 @@ void PairTersoffKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp index b941755d4b..3e651f1433 100644 --- a/src/KOKKOS/pair_tersoff_mod_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_mod_kokkos.cpp @@ -283,9 +283,9 @@ void PairTersoffMODKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } } diff --git a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp index 08d6cb17d7..3d6d1ea27b 100644 --- a/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp +++ b/src/KOKKOS/pair_tersoff_zbl_kokkos.cpp @@ -296,9 +296,9 @@ void PairTersoffZBLKokkos::compute(int eflag_in, int vflag_in) // free duplicated memory if (need_dup) { - dup_f = decltype(dup_f)(); - dup_eatom = decltype(dup_eatom)(); - dup_vatom = decltype(dup_vatom)(); + dup_f = {}; + dup_eatom = {}; + dup_vatom = {}; } }