From de4a9f268e76766135a9004428100377052578df Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Mon, 21 Feb 2022 21:18:28 -0500 Subject: [PATCH] rename reverse communication calls --- src/CORESHELL/compute_temp_cs.cpp | 2 +- src/DIELECTRIC/compute_efield_atom.cpp | 2 +- src/DPD-REACT/fix_eos_table_rx.cpp | 2 +- src/DPD-REACT/fix_rx.cpp | 2 +- src/DPD-REACT/fix_shardlow.cpp | 2 +- src/DPD-REACT/pair_dpd_fdt_energy.cpp | 2 +- src/DPD-REACT/pair_multi_lucy.cpp | 2 +- src/DPD-REACT/pair_multi_lucy_rx.cpp | 2 +- src/GRANULAR/compute_contact_atom.cpp | 2 +- src/INTEL/pair_eam_intel.cpp | 2 +- src/KIM/pair_kim.cpp | 2 +- src/KOKKOS/comm_kokkos.cpp | 16 ++++++++-------- src/KOKKOS/comm_kokkos.h | 8 ++++---- src/KOKKOS/comm_tiled_kokkos.cpp | 20 ++++++++++---------- src/KOKKOS/comm_tiled_kokkos.h | 10 +++++----- src/KOKKOS/fix_acks2_reaxff_kokkos.cpp | 10 +++++----- src/KOKKOS/fix_eos_table_rx_kokkos.cpp | 2 +- src/KOKKOS/fix_qeq_reaxff_kokkos.cpp | 8 ++++---- src/KOKKOS/fix_rx_kokkos.cpp | 2 +- src/KOKKOS/fix_shardlow_kokkos.cpp | 2 +- src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp | 2 +- src/KOKKOS/pair_eam_alloy_kokkos.cpp | 2 +- src/KOKKOS/pair_eam_fs_kokkos.cpp | 2 +- src/KOKKOS/pair_eam_kokkos.cpp | 2 +- src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp | 2 +- src/MANYBODY/pair_adp.cpp | 2 +- src/MANYBODY/pair_comb.cpp | 2 +- src/MANYBODY/pair_comb3.cpp | 2 +- src/MANYBODY/pair_eam.cpp | 2 +- src/MANYBODY/pair_eam_cd.cpp | 4 ++-- src/MANYBODY/pair_eam_he.cpp | 2 +- src/MANYBODY/pair_eim.cpp | 4 ++-- src/MANYBODY/pair_local_density.cpp | 2 +- src/MC/fix_bond_break.cpp | 2 +- src/MC/fix_bond_create.cpp | 4 ++-- src/MEAM/pair_meam.cpp | 2 +- src/MESONT/compute_mesont.cpp | 2 +- src/ML-SNAP/compute_snad_atom.cpp | 2 +- src/ML-SNAP/compute_snav_atom.cpp | 2 +- src/OPENMP/fix_neigh_history_omp.cpp | 4 ++-- src/OPENMP/fix_qeq_reaxff_omp.cpp | 8 ++++---- src/OPENMP/fix_rigid_small_omp.cpp | 2 +- src/OPENMP/pair_adp_omp.cpp | 2 +- src/OPENMP/pair_comb_omp.cpp | 2 +- src/OPENMP/pair_eam_omp.cpp | 2 +- src/OPENMP/pair_eim_omp.cpp | 4 ++-- src/OPT/pair_eam_opt.cpp | 2 +- src/QEQ/fix_qeq.cpp | 4 ++-- src/QEQ/fix_qeq_dynamic.cpp | 2 +- src/QEQ/fix_qeq_fire.cpp | 2 +- src/REACTION/fix_bond_react.cpp | 4 ++-- src/REAXFF/fix_acks2_reaxff.cpp | 8 ++++---- src/REAXFF/fix_qeq_reaxff.cpp | 4 ++-- src/REPLICA/fix_hyper_local.cpp | 12 ++++++------ src/RIGID/fix_rigid_small.cpp | 14 +++++++------- src/SMTBQ/pair_smtbq.cpp | 4 ++-- src/SRD/fix_srd.cpp | 2 +- src/TALLY/compute_force_tally.cpp | 2 +- src/TALLY/compute_heat_flux_tally.cpp | 2 +- src/TALLY/compute_heat_flux_virial_tally.cpp | 2 +- src/TALLY/compute_pe_tally.cpp | 2 +- src/TALLY/compute_stress_tally.cpp | 2 +- src/comm.h | 10 +++++----- src/comm_brick.cpp | 10 +++++----- src/comm_brick.h | 10 +++++----- src/comm_tiled.cpp | 10 +++++----- src/comm_tiled.h | 10 +++++----- src/compute_aggregate_atom.cpp | 2 +- src/compute_centroid_stress_atom.cpp | 2 +- src/compute_pe_atom.cpp | 2 +- src/compute_stress_atom.cpp | 2 +- src/fix_neigh_history.cpp | 8 ++++---- 72 files changed, 151 insertions(+), 151 deletions(-) diff --git a/src/CORESHELL/compute_temp_cs.cpp b/src/CORESHELL/compute_temp_cs.cpp index 04c7a743d8..9b4ca249fa 100644 --- a/src/CORESHELL/compute_temp_cs.cpp +++ b/src/CORESHELL/compute_temp_cs.cpp @@ -174,7 +174,7 @@ void ComputeTempCS::setup() // reverse comm to acquire unknown partner IDs from ghost atoms // only needed if newton_bond = on - if (force->newton_bond) comm->reverse_comm_compute(this); + if (force->newton_bond) comm->reverse_comm(this); // check that all C/S partners were found diff --git a/src/DIELECTRIC/compute_efield_atom.cpp b/src/DIELECTRIC/compute_efield_atom.cpp index 6f4bfd742a..586d858632 100644 --- a/src/DIELECTRIC/compute_efield_atom.cpp +++ b/src/DIELECTRIC/compute_efield_atom.cpp @@ -177,7 +177,7 @@ void ComputeEfieldAtom::compute_peratom() // communicate ghost efield between neighbor procs if (force->newton || (force->kspace && force->kspace->tip4pflag)) - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // zero efield of atoms not in group // only do this after comm since ghost contributions must be included diff --git a/src/DPD-REACT/fix_eos_table_rx.cpp b/src/DPD-REACT/fix_eos_table_rx.cpp index 4da58eeaf2..26defddc45 100644 --- a/src/DPD-REACT/fix_eos_table_rx.cpp +++ b/src/DPD-REACT/fix_eos_table_rx.cpp @@ -274,7 +274,7 @@ void FixEOStableRX::end_of_step() double *uCGnew = atom->uCGnew; // Communicate the ghost uCGnew - comm->reverse_comm_fix(this); + comm->reverse_comm(this); for (int i = 0; i < nlocal; i++) if (mask[i] & groupbit) { diff --git a/src/DPD-REACT/fix_rx.cpp b/src/DPD-REACT/fix_rx.cpp index e496f01451..bdc28e743f 100644 --- a/src/DPD-REACT/fix_rx.cpp +++ b/src/DPD-REACT/fix_rx.cpp @@ -1768,7 +1768,7 @@ void FixRX::computeLocalTemperature() } } } - if (newton_pair) comm->reverse_comm_fix(this); + if (newton_pair) comm->reverse_comm(this); // self-interaction for local temperature for (i = 0; i < nlocal; i++) { diff --git a/src/DPD-REACT/fix_shardlow.cpp b/src/DPD-REACT/fix_shardlow.cpp index 238b4d9631..e6368676d3 100644 --- a/src/DPD-REACT/fix_shardlow.cpp +++ b/src/DPD-REACT/fix_shardlow.cpp @@ -623,7 +623,7 @@ void FixShardlow::initial_integrate(int /*vflag*/) } // Communicate the ghost deltas to the atom owners - comm->reverse_comm_fix(this); + comm->reverse_comm(this); } //End Loop over all directions For airnum = Top, Top-Right, Right, Bottom-Right, Back diff --git a/src/DPD-REACT/pair_dpd_fdt_energy.cpp b/src/DPD-REACT/pair_dpd_fdt_energy.cpp index 9d506ebb84..01f9ea19d7 100644 --- a/src/DPD-REACT/pair_dpd_fdt_energy.cpp +++ b/src/DPD-REACT/pair_dpd_fdt_energy.cpp @@ -292,7 +292,7 @@ void PairDPDfdtEnergy::compute(int eflag, int vflag) } } // Communicate the ghost delta energies to the locally owned atoms - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } if (vflag_fdotr) virial_fdotr_compute(); diff --git a/src/DPD-REACT/pair_multi_lucy.cpp b/src/DPD-REACT/pair_multi_lucy.cpp index e86c827d92..0f54a57870 100644 --- a/src/DPD-REACT/pair_multi_lucy.cpp +++ b/src/DPD-REACT/pair_multi_lucy.cpp @@ -774,7 +774,7 @@ void PairMultiLucy::computeLocalDensity() } } } - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); comm->forward_comm(this); diff --git a/src/DPD-REACT/pair_multi_lucy_rx.cpp b/src/DPD-REACT/pair_multi_lucy_rx.cpp index db6c2b4aad..64b2b4c7d5 100644 --- a/src/DPD-REACT/pair_multi_lucy_rx.cpp +++ b/src/DPD-REACT/pair_multi_lucy_rx.cpp @@ -934,7 +934,7 @@ void PairMultiLucyRX::computeLocalDensity() rho[i] = rho_i; } - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); comm->forward_comm(this); diff --git a/src/GRANULAR/compute_contact_atom.cpp b/src/GRANULAR/compute_contact_atom.cpp index 46e1389423..a8494342a9 100644 --- a/src/GRANULAR/compute_contact_atom.cpp +++ b/src/GRANULAR/compute_contact_atom.cpp @@ -154,7 +154,7 @@ void ComputeContactAtom::compute_peratom() // communicate ghost atom counts between neighbor procs if necessary - if (force->newton_pair) comm->reverse_comm_compute(this); + if (force->newton_pair) comm->reverse_comm(this); } /* ---------------------------------------------------------------------- */ diff --git a/src/INTEL/pair_eam_intel.cpp b/src/INTEL/pair_eam_intel.cpp index 9e94bb36f3..1725012f89 100644 --- a/src/INTEL/pair_eam_intel.cpp +++ b/src/INTEL/pair_eam_intel.cpp @@ -416,7 +416,7 @@ void PairEAMIntel::eval(const int offload, const int vflag, if (NEWTON_PAIR) { if (tid == 0) - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } #if defined(_OPENMP) #pragma omp barrier diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 49aea4eeb6..1f0a76d4da 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -259,7 +259,7 @@ void PairKIM::compute(int eflag, int vflag) // if newton is off, perform reverse comm if (!lmps_using_newton) { - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } if ((vflag_atom != 0) && diff --git a/src/KOKKOS/comm_kokkos.cpp b/src/KOKKOS/comm_kokkos.cpp index e9baabcf6c..d939968eea 100644 --- a/src/KOKKOS/comm_kokkos.cpp +++ b/src/KOKKOS/comm_kokkos.cpp @@ -439,10 +439,10 @@ void CommKokkos::forward_comm_device(Fix *fix, int size) /* ---------------------------------------------------------------------- */ -void CommKokkos::reverse_comm_fix(Fix *fix, int size) +void CommKokkos::reverse_comm(Fix *fix, int size) { k_sendlist.sync(); - CommBrick::reverse_comm_fix(fix, size); + CommBrick::reverse_comm(fix, size); } void CommKokkos::forward_comm(Compute *compute) @@ -451,10 +451,10 @@ void CommKokkos::forward_comm(Compute *compute) CommBrick::forward_comm(compute); } -void CommKokkos::reverse_comm_compute(Compute *compute) +void CommKokkos::reverse_comm(Compute *compute) { k_sendlist.sync(); - CommBrick::reverse_comm_compute(compute); + CommBrick::reverse_comm(compute); } void CommKokkos::forward_comm(Pair *pair) @@ -543,10 +543,10 @@ void CommKokkos::grow_buf_fix(int n) { k_buf_recv_fix.resize(max_buf_fix); } -void CommKokkos::reverse_comm_pair(Pair *pair) +void CommKokkos::reverse_comm(Pair *pair) { k_sendlist.sync(); - CommBrick::reverse_comm_pair(pair); + CommBrick::reverse_comm(pair); } void CommKokkos::forward_comm(Dump *dump) @@ -555,10 +555,10 @@ void CommKokkos::forward_comm(Dump *dump) CommBrick::forward_comm(dump); } -void CommKokkos::reverse_comm_dump(Dump *dump) +void CommKokkos::reverse_comm(Dump *dump) { k_sendlist.sync(); - CommBrick::reverse_comm_dump(dump); + CommBrick::reverse_comm(dump); } /* ---------------------------------------------------------------------- diff --git a/src/KOKKOS/comm_kokkos.h b/src/KOKKOS/comm_kokkos.h index 2d2d5a74d6..4b002a42d4 100644 --- a/src/KOKKOS/comm_kokkos.h +++ b/src/KOKKOS/comm_kokkos.h @@ -43,13 +43,13 @@ class CommKokkos : public CommBrick { void borders() override; // setup list of atoms to comm void forward_comm(class Pair *) override; // forward comm from a Pair - void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair + void reverse_comm(class Pair *) override; // reverse comm from a Pair void forward_comm(class Fix *, int size=0) override; // forward comm from a Fix - void reverse_comm_fix(class Fix *, int size=0) override; // reverse comm from a Fix + void reverse_comm(class Fix *, int size=0) override; // reverse comm from a Fix void forward_comm(class Compute *) override; // forward from a Compute - void reverse_comm_compute(class Compute *) override; // reverse from a Compute + void reverse_comm(class Compute *) override; // reverse from a Compute void forward_comm(class Dump *) override; // forward comm from a Dump - void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump + void reverse_comm(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array diff --git a/src/KOKKOS/comm_tiled_kokkos.cpp b/src/KOKKOS/comm_tiled_kokkos.cpp index 3d9934e7df..c98bf5266d 100644 --- a/src/KOKKOS/comm_tiled_kokkos.cpp +++ b/src/KOKKOS/comm_tiled_kokkos.cpp @@ -147,9 +147,9 @@ void CommTiledKokkos::forward_comm(Pair *pair) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiledKokkos::reverse_comm_pair(Pair *pair) +void CommTiledKokkos::reverse_comm(Pair *pair) { - CommTiled::reverse_comm_pair(pair); + CommTiled::reverse_comm(pair); } /* ---------------------------------------------------------------------- @@ -175,9 +175,9 @@ void CommTiledKokkos::forward_comm(Fix *fix, int size) some are smaller than max stored in its comm_forward ------------------------------------------------------------------------- */ -void CommTiledKokkos::reverse_comm_fix(Fix *fix, int size) +void CommTiledKokkos::reverse_comm(Fix *fix, int size) { - CommTiled::reverse_comm_fix(fix,size); + CommTiled::reverse_comm(fix,size); } /* ---------------------------------------------------------------------- @@ -187,9 +187,9 @@ void CommTiledKokkos::reverse_comm_fix(Fix *fix, int size) NOTE: how to setup one big buf recv with correct offsets ?? ------------------------------------------------------------------------- */ -void CommTiledKokkos::reverse_comm_fix_variable(Fix *fix) +void CommTiledKokkos::reverse_comm_variable(Fix *fix) { - CommTiled::reverse_comm_fix_variable(fix); + CommTiled::reverse_comm_variable(fix); } /* ---------------------------------------------------------------------- @@ -207,9 +207,9 @@ void CommTiledKokkos::forward_comm(Compute *compute) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiledKokkos::reverse_comm_compute(Compute *compute) +void CommTiledKokkos::reverse_comm(Compute *compute) { - CommTiled::reverse_comm_compute(compute); + CommTiled::reverse_comm(compute); } /* ---------------------------------------------------------------------- @@ -227,9 +227,9 @@ void CommTiledKokkos::forward_comm(Dump *dump) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiledKokkos::reverse_comm_dump(Dump *dump) +void CommTiledKokkos::reverse_comm(Dump *dump) { - CommTiled::reverse_comm_dump(dump); + CommTiled::reverse_comm(dump); } /* ---------------------------------------------------------------------- diff --git a/src/KOKKOS/comm_tiled_kokkos.h b/src/KOKKOS/comm_tiled_kokkos.h index a2ef28c5ad..578c4b0b26 100644 --- a/src/KOKKOS/comm_tiled_kokkos.h +++ b/src/KOKKOS/comm_tiled_kokkos.h @@ -32,17 +32,17 @@ class CommTiledKokkos : public CommTiled { void borders() override; // setup list of atoms to comm void forward_comm(class Pair *) override; // forward comm from a Pair - void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair + void reverse_comm(class Pair *) override; // reverse comm from a Pair void forward_comm(class Fix *, int size=0) override; // forward comm from a Fix - void reverse_comm_fix(class Fix *, int size=0) override; + void reverse_comm(class Fix *, int size=0) override; // reverse comm from a Fix - void reverse_comm_fix_variable(class Fix *) override; + void reverse_comm_variable(class Fix *) override; // variable size reverse comm from a Fix void forward_comm(class Compute *) override; // forward from a Compute - void reverse_comm_compute(class Compute *) override; // reverse from a Compute + void reverse_comm(class Compute *) override; // reverse from a Compute void forward_comm(class Dump *) override; // forward comm from a Dump - void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump + void reverse_comm(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array int exchange_variable(int, double *, double *&) override; // exchange on neigh stencil diff --git a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp index 3e3bcd8186..2f7ed201a4 100644 --- a/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_acks2_reaxff_kokkos.cpp @@ -385,10 +385,10 @@ void FixACKS2ReaxFFKokkos::pre_force(int vflag) if (neighflag != FULL) { pack_flag = 4; - //comm->reverse_comm_fix(this); //Coll_Vector( X_diag ); + //comm->reverse_comm(this); //Coll_Vector( X_diag ); k_X_diag.template modify(); k_X_diag.template sync(); - comm->reverse_comm_fix(this); + comm->reverse_comm(this); k_X_diag.template modify(); k_X_diag.template sync(); } @@ -1215,7 +1215,7 @@ int FixACKS2ReaxFFKokkos::bicgstab_solve() k_d.template modify(); k_d.template sync(); if (neighflag != FULL) - comm->reverse_comm_fix(this); //Coll_vector( d ); + comm->reverse_comm(this); //Coll_vector( d ); more_reverse_comm(k_d.h_view.data()); k_d.template modify(); k_d.template sync(); @@ -1279,7 +1279,7 @@ int FixACKS2ReaxFFKokkos::bicgstab_solve() k_z.template modify(); k_z.template sync(); if (neighflag != FULL) - comm->reverse_comm_fix(this); //Coll_vector( z ); + comm->reverse_comm(this); //Coll_vector( z ); more_reverse_comm(k_z.h_view.data()); k_z.template modify(); k_z.template sync(); @@ -1324,7 +1324,7 @@ int FixACKS2ReaxFFKokkos::bicgstab_solve() k_y.template modify(); k_y.template sync(); if (neighflag != FULL) - comm->reverse_comm_fix(this); //Coll_vector( y ); + comm->reverse_comm(this); //Coll_vector( y ); more_reverse_comm(k_y.h_view.data()); k_y.template modify(); k_y.template sync(); diff --git a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp index 3585d6a4f8..68247f6918 100644 --- a/src/KOKKOS/fix_eos_table_rx_kokkos.cpp +++ b/src/KOKKOS/fix_eos_table_rx_kokkos.cpp @@ -265,7 +265,7 @@ void FixEOStableRXKokkos::end_of_step() // Communicate the ghost uCGnew atomKK->sync(Host,UCG_MASK | UCGNEW_MASK); - comm->reverse_comm_fix(this); + comm->reverse_comm(this); atomKK->modified(Host,UCG_MASK | UCGNEW_MASK); atomKK->sync(execution_space,MASK_MASK | UCHEM_MASK | UCG_MASK | UCGNEW_MASK); diff --git a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp index 6ba81a58b1..a7bd58ca65 100644 --- a/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp +++ b/src/KOKKOS/fix_qeq_reaxff_kokkos.cpp @@ -760,7 +760,7 @@ int FixQEqReaxFFKokkos::cg_solve1() if (neighflag != FULL) { k_o.template modify(); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); k_o.template sync(); } @@ -813,7 +813,7 @@ int FixQEqReaxFFKokkos::cg_solve1() if (neighflag != FULL) { k_o.template modify(); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); k_o.template sync(); } @@ -890,7 +890,7 @@ int FixQEqReaxFFKokkos::cg_solve2() if (neighflag != FULL) { k_o.template modify(); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); k_o.template sync(); } @@ -943,7 +943,7 @@ int FixQEqReaxFFKokkos::cg_solve2() if (neighflag != FULL) { k_o.template modify(); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); k_o.template sync(); } diff --git a/src/KOKKOS/fix_rx_kokkos.cpp b/src/KOKKOS/fix_rx_kokkos.cpp index c6aac16922..ed76540f87 100644 --- a/src/KOKKOS/fix_rx_kokkos.cpp +++ b/src/KOKKOS/fix_rx_kokkos.cpp @@ -2162,7 +2162,7 @@ void FixRxKokkos::computeLocalTemperature() k_sumWeights. template modify(); // Communicate the sum dpdTheta and the weights on the host. - if (NEWTON_PAIR) comm->reverse_comm_fix(this); + if (NEWTON_PAIR) comm->reverse_comm(this); // Update the device view in case they got changed. k_dpdThetaLocal.template sync(); diff --git a/src/KOKKOS/fix_shardlow_kokkos.cpp b/src/KOKKOS/fix_shardlow_kokkos.cpp index 75190d395b..1ec94adfb6 100644 --- a/src/KOKKOS/fix_shardlow_kokkos.cpp +++ b/src/KOKKOS/fix_shardlow_kokkos.cpp @@ -672,7 +672,7 @@ void FixShardlowKokkos::initial_integrate(int /*vflag*/) // Communicate the ghost deltas to the atom owners atomKK->sync(Host,V_MASK | UCOND_MASK | UMECH_MASK); - comm->reverse_comm_fix(this); + comm->reverse_comm(this); atomKK->modified(Host,V_MASK | UCOND_MASK | UMECH_MASK); } //End Loop over all directions For airnum = Top, Top-Right, Right, Bottom-Right, Back diff --git a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp index b84396d6f1..b905ec5e67 100644 --- a/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp +++ b/src/KOKKOS/pair_dpd_fdt_energy_kokkos.cpp @@ -350,7 +350,7 @@ void PairDPDfdtEnergyKokkos::compute(int eflag_in, int vflag_in) k_duCond.template sync(); k_duMech.template modify(); k_duMech.template sync(); - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } if (eflag_global) eng_vdwl += ev.evdwl; diff --git a/src/KOKKOS/pair_eam_alloy_kokkos.cpp b/src/KOKKOS/pair_eam_alloy_kokkos.cpp index 214e8c3a6d..e08daf2ff7 100644 --- a/src/KOKKOS/pair_eam_alloy_kokkos.cpp +++ b/src/KOKKOS/pair_eam_alloy_kokkos.cpp @@ -172,7 +172,7 @@ void PairEAMAlloyKokkos::compute(int eflag_in, int vflag_in) if (newton_pair) { k_rho.template modify(); - comm->reverse_comm_pair(this); + comm->reverse_comm(this); k_rho.template sync(); } diff --git a/src/KOKKOS/pair_eam_fs_kokkos.cpp b/src/KOKKOS/pair_eam_fs_kokkos.cpp index 52a369eb60..88380a834d 100644 --- a/src/KOKKOS/pair_eam_fs_kokkos.cpp +++ b/src/KOKKOS/pair_eam_fs_kokkos.cpp @@ -172,7 +172,7 @@ void PairEAMFSKokkos::compute(int eflag_in, int vflag_in) if (newton_pair) { k_rho.template modify(); - comm->reverse_comm_pair(this); + comm->reverse_comm(this); k_rho.template sync(); } diff --git a/src/KOKKOS/pair_eam_kokkos.cpp b/src/KOKKOS/pair_eam_kokkos.cpp index e03afa6eac..daa9b38252 100644 --- a/src/KOKKOS/pair_eam_kokkos.cpp +++ b/src/KOKKOS/pair_eam_kokkos.cpp @@ -167,7 +167,7 @@ void PairEAMKokkos::compute(int eflag_in, int vflag_in) if (newton_pair) { k_rho.template modify(); - comm->reverse_comm_pair(this); + comm->reverse_comm(this); k_rho.template sync(); } diff --git a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp index a11f548011..8c558db32c 100644 --- a/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp +++ b/src/KOKKOS/pair_multi_lucy_rx_kokkos.cpp @@ -516,7 +516,7 @@ void PairMultiLucyRXKokkos::computeLocalDensity() // communicate and sum densities if (newton_pair) - comm->reverse_comm_pair(this); + comm->reverse_comm(this); comm->forward_comm(this); atomKK->sync(execution_space,DPDRHO_MASK); diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index bc6503749d..0931f9c222 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -246,7 +246,7 @@ void PairADP::compute(int eflag, int vflag) // communicate and sum densities - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); // fp = derivative of embedding energy at each atom // phi = embedding energy at each atom diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 14af1703af..82a47b9f6a 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -1692,7 +1692,7 @@ double PairComb::yasu_char(double *qf_fix, int &igroup) } } - comm->reverse_comm_pair(this); + comm->reverse_comm(this); // sum charge force on each node and return it diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index dc02630bc6..8f01749358 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -3265,7 +3265,7 @@ double PairComb3::combqeq(double *qf_fix, int &igroup) } } - comm->reverse_comm_pair(this); + comm->reverse_comm(this); // sum charge force on each node and return it diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index 50bacb66c9..fd8335fca9 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -221,7 +221,7 @@ void PairEAM::compute(int eflag, int vflag) // communicate and sum densities - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); // fp = derivative of embedding energy at each atom // phi = embedding energy at each atom diff --git a/src/MANYBODY/pair_eam_cd.cpp b/src/MANYBODY/pair_eam_cd.cpp index 898e1278dc..67ecc581f9 100644 --- a/src/MANYBODY/pair_eam_cd.cpp +++ b/src/MANYBODY/pair_eam_cd.cpp @@ -171,7 +171,7 @@ void PairEAMCD::compute(int eflag, int vflag) if (newton_pair) { communicationStage = 1; - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } // fp = derivative of embedding energy at each atom @@ -269,7 +269,7 @@ void PairEAMCD::compute(int eflag, int vflag) if (newton_pair) { communicationStage = 3; - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } communicationStage = 4; comm->forward_comm(this); diff --git a/src/MANYBODY/pair_eam_he.cpp b/src/MANYBODY/pair_eam_he.cpp index ae8682396d..a5a18a43a5 100644 --- a/src/MANYBODY/pair_eam_he.cpp +++ b/src/MANYBODY/pair_eam_he.cpp @@ -118,7 +118,7 @@ void PairEAMHE::compute(int eflag, int vflag) // communicate and sum densities - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); // fp = derivative of embedding energy at each atom // phi = embedding energy at each atom diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 55ef9bd200..badcb28e25 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -185,7 +185,7 @@ void PairEIM::compute(int eflag, int vflag) // communicate and sum densities rhofp = 1; - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); comm->forward_comm(this); for (ii = 0; ii < inum; ii++) { @@ -226,7 +226,7 @@ void PairEIM::compute(int eflag, int vflag) // communicate and sum modified densities rhofp = 2; - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); comm->forward_comm(this); for (ii = 0; ii < inum; ii++) { diff --git a/src/MANYBODY/pair_local_density.cpp b/src/MANYBODY/pair_local_density.cpp index 5a41f07e75..a811927ea4 100644 --- a/src/MANYBODY/pair_local_density.cpp +++ b/src/MANYBODY/pair_local_density.cpp @@ -237,7 +237,7 @@ void PairLocalDensity::compute(int eflag, int vflag) } // communicate and sum LDs over all procs - if (newton_pair) comm->reverse_comm_pair(this); + if (newton_pair) comm->reverse_comm(this); // diff --git a/src/MC/fix_bond_break.cpp b/src/MC/fix_bond_break.cpp index 3af7fc5b16..7e55cbd965 100644 --- a/src/MC/fix_bond_break.cpp +++ b/src/MC/fix_bond_break.cpp @@ -247,7 +247,7 @@ void FixBondBreak::post_integrate() // reverse comm of partner info - if (force->newton_bond) comm->reverse_comm_fix(this); + if (force->newton_bond) comm->reverse_comm(this); // each atom now knows its winning partner // for prob check, generate random value for each atom with a bond partner diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index 8fce7caa58..eecf8763b7 100644 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -343,7 +343,7 @@ void FixBondCreate::setup(int /*vflag*/) // if newton_bond is set, need to sum bondcount commflag = 1; - if (newton_bond) comm->reverse_comm_fix(this,1); + if (newton_bond) comm->reverse_comm(this,1); } /* ---------------------------------------------------------------------- */ @@ -488,7 +488,7 @@ void FixBondCreate::post_integrate() // not needed if newton_pair off since I,J pair was seen by both procs commflag = 2; - if (force->newton_pair) comm->reverse_comm_fix(this); + if (force->newton_pair) comm->reverse_comm(this); // each atom now knows its winning partner // for prob check, generate random value for each atom with a bond partner diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index dccb1aebe9..0d7c3a0736 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -139,7 +139,7 @@ void PairMEAM::compute(int eflag, int vflag) offset += numneigh_half[i]; } - comm->reverse_comm_pair(this); + comm->reverse_comm(this); meam_inst->meam_dens_final(nlocal,eflag_either,eflag_global,eflag_atom, &eng_vdwl,eatom,ntype,type,map,scale,errorflag); diff --git a/src/MESONT/compute_mesont.cpp b/src/MESONT/compute_mesont.cpp index aa17328ed6..3c31cdc84d 100644 --- a/src/MESONT/compute_mesont.cpp +++ b/src/MESONT/compute_mesont.cpp @@ -118,7 +118,7 @@ void ComputeMesoNT::compute_peratom() { "compute mesont is allowed only with mesont/tpm pair style"); // communicate ghost energy between neighbor procs - if (force->newton) comm->reverse_comm_compute(this); + if (force->newton) comm->reverse_comm(this); // zero energy of atoms not in group // only do this after comm since ghost contributions must be included diff --git a/src/ML-SNAP/compute_snad_atom.cpp b/src/ML-SNAP/compute_snad_atom.cpp index 6815e25c68..80076d6afb 100644 --- a/src/ML-SNAP/compute_snad_atom.cpp +++ b/src/ML-SNAP/compute_snad_atom.cpp @@ -368,7 +368,7 @@ void ComputeSNADAtom::compute_peratom() // communicate snad contributions between neighbor procs - comm->reverse_comm_compute(this); + comm->reverse_comm(this); } diff --git a/src/ML-SNAP/compute_snav_atom.cpp b/src/ML-SNAP/compute_snav_atom.cpp index 64f9faebe2..d0031814ca 100644 --- a/src/ML-SNAP/compute_snav_atom.cpp +++ b/src/ML-SNAP/compute_snav_atom.cpp @@ -378,7 +378,7 @@ void ComputeSNAVAtom::compute_peratom() // communicate snav contributions between neighbor procs - comm->reverse_comm_compute(this); + comm->reverse_comm(this); } diff --git a/src/OPENMP/fix_neigh_history_omp.cpp b/src/OPENMP/fix_neigh_history_omp.cpp index 8dd3816ec7..4db6678721 100644 --- a/src/OPENMP/fix_neigh_history_omp.cpp +++ b/src/OPENMP/fix_neigh_history_omp.cpp @@ -268,7 +268,7 @@ void FixNeighHistoryOMP::pre_exchange_newton() #endif { commflag = NPARTNER; - comm->reverse_comm_fix(this,0); + comm->reverse_comm(this,0); } // get page chunks to store atom IDs and shear history for my atoms @@ -345,7 +345,7 @@ void FixNeighHistoryOMP::pre_exchange_newton() // if many touching neighbors for large particle commflag = PERPARTNER; - comm->reverse_comm_fix_variable(this); + comm->reverse_comm_variable(this); } // set maxpartner = max # of partners of any owned atom diff --git a/src/OPENMP/fix_qeq_reaxff_omp.cpp b/src/OPENMP/fix_qeq_reaxff_omp.cpp index 9b6ca327f3..2bcf639eae 100644 --- a/src/OPENMP/fix_qeq_reaxff_omp.cpp +++ b/src/OPENMP/fix_qeq_reaxff_omp.cpp @@ -380,7 +380,7 @@ int FixQEqReaxFFOMP::CG(double *b, double *x) pack_flag = 1; sparse_matvec(&H, x, q); - comm->reverse_comm_fix(this); //Coll_Vector(q); + comm->reverse_comm(this); //Coll_Vector(q); double tmp1, tmp2; tmp1 = tmp2 = 0.0; @@ -410,7 +410,7 @@ int FixQEqReaxFFOMP::CG(double *b, double *x) for (i = 1; i < imax && sqrt(sig_new) / b_norm > tolerance; ++i) { comm->forward_comm(this); //Dist_vector(d); sparse_matvec(&H, d, q); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); tmp1 = 0.0; #if defined(_OPENMP) @@ -644,7 +644,7 @@ int FixQEqReaxFFOMP::dual_CG(double *b1, double *b2, double *x1, double *x2) pack_flag = 5; // forward 2x d and reverse 2x q dual_sparse_matvec(&H, x1, x2, q); - comm->reverse_comm_fix(this); //Coll_Vector(q); + comm->reverse_comm(this); //Coll_Vector(q); double tmp1, tmp2, tmp3, tmp4; tmp1 = tmp2 = tmp3 = tmp4 = 0.0; @@ -686,7 +686,7 @@ int FixQEqReaxFFOMP::dual_CG(double *b1, double *b2, double *x1, double *x2) for (i = 1; i < imax; ++i) { comm->forward_comm(this); //Dist_vector(d); dual_sparse_matvec(&H, d, q); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); tmp1 = tmp2 = 0.0; #if defined(_OPENMP) diff --git a/src/OPENMP/fix_rigid_small_omp.cpp b/src/OPENMP/fix_rigid_small_omp.cpp index cc6666053b..896bfdff38 100644 --- a/src/OPENMP/fix_rigid_small_omp.cpp +++ b/src/OPENMP/fix_rigid_small_omp.cpp @@ -177,7 +177,7 @@ void FixRigidSmallOMP::compute_forces_and_torques() // reverse communicate fcm, torque of all bodies commflag = FORCE_TORQUE; - comm->reverse_comm_fix(this,6); + comm->reverse_comm(this,6); // include Langevin thermostat forces and torques diff --git a/src/OPENMP/pair_adp_omp.cpp b/src/OPENMP/pair_adp_omp.cpp index c892c17481..cf9514e4d6 100644 --- a/src/OPENMP/pair_adp_omp.cpp +++ b/src/OPENMP/pair_adp_omp.cpp @@ -213,7 +213,7 @@ void PairADPOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->reverse_comm_pair(this); } + { comm->reverse_comm(this); } // wait until master thread is done with communication sync_threads(); diff --git a/src/OPENMP/pair_comb_omp.cpp b/src/OPENMP/pair_comb_omp.cpp index 4d6ab2c932..116db7194d 100644 --- a/src/OPENMP/pair_comb_omp.cpp +++ b/src/OPENMP/pair_comb_omp.cpp @@ -528,7 +528,7 @@ double PairCombOMP::yasu_char(double *qf_fix, int &igroup) } } - comm->reverse_comm_pair(this); + comm->reverse_comm(this); // sum charge force on each node and return it diff --git a/src/OPENMP/pair_eam_omp.cpp b/src/OPENMP/pair_eam_omp.cpp index 2ee2f7c131..2653cfba63 100644 --- a/src/OPENMP/pair_eam_omp.cpp +++ b/src/OPENMP/pair_eam_omp.cpp @@ -174,7 +174,7 @@ void PairEAMOMP::eval(int iifrom, int iito, ThrData * const thr) #if defined(_OPENMP) #pragma omp master #endif - { comm->reverse_comm_pair(this); } + { comm->reverse_comm(this); } // wait until master thread is done with communication sync_threads(); diff --git a/src/OPENMP/pair_eim_omp.cpp b/src/OPENMP/pair_eim_omp.cpp index 842773df7c..8c7b69c41b 100644 --- a/src/OPENMP/pair_eim_omp.cpp +++ b/src/OPENMP/pair_eim_omp.cpp @@ -174,7 +174,7 @@ void PairEIMOMP::eval(int iifrom, int iito, ThrData * const thr) #endif { rhofp = 1; - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } } else { @@ -248,7 +248,7 @@ void PairEIMOMP::eval(int iifrom, int iito, ThrData * const thr) #endif { rhofp = 2; - comm->reverse_comm_pair(this); + comm->reverse_comm(this); } } else { diff --git a/src/OPT/pair_eam_opt.cpp b/src/OPT/pair_eam_opt.cpp index 3276a159e6..0fa145c6c5 100644 --- a/src/OPT/pair_eam_opt.cpp +++ b/src/OPT/pair_eam_opt.cpp @@ -225,7 +225,7 @@ void PairEAMOpt::eval() // communicate and sum densities - if (NEWTON_PAIR) comm->reverse_comm_pair(this); + if (NEWTON_PAIR) comm->reverse_comm(this); // fp = derivative of embedding energy at each atom // phi = embedding energy at each atom diff --git a/src/QEQ/fix_qeq.cpp b/src/QEQ/fix_qeq.cpp index 5365c05121..d3acd8017f 100644 --- a/src/QEQ/fix_qeq.cpp +++ b/src/QEQ/fix_qeq.cpp @@ -399,7 +399,7 @@ int FixQEq::CG(double *b, double *x) pack_flag = 1; sparse_matvec(&H, x, q); - comm->reverse_comm_fix(this); + comm->reverse_comm(this); vector_sum(r , 1., b, -1., q, inum); @@ -416,7 +416,7 @@ int FixQEq::CG(double *b, double *x) for (loop = 1; loop < maxiter && sqrt(sig_new)/b_norm > tolerance; ++loop) { comm->forward_comm(this); sparse_matvec(&H, d, q); - comm->reverse_comm_fix(this); + comm->reverse_comm(this); tmp = parallel_dot(d, q, inum); alfa = sig_new / tmp; diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index 331d9f38bd..990a377480 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -217,7 +217,7 @@ double FixQEqDynamic::compute_eneg() } pack_flag = 2; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); // sum charge force on each node and return it diff --git a/src/QEQ/fix_qeq_fire.cpp b/src/QEQ/fix_qeq_fire.cpp index 4e339f2e1d..a7220f0f71 100644 --- a/src/QEQ/fix_qeq_fire.cpp +++ b/src/QEQ/fix_qeq_fire.cpp @@ -278,7 +278,7 @@ double FixQEqFire::compute_eneg() } pack_flag = 2; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); // sum charge force on each node and return it diff --git a/src/REACTION/fix_bond_react.cpp b/src/REACTION/fix_bond_react.cpp index 0cf3f6c6ea..a74a0fa934 100644 --- a/src/REACTION/fix_bond_react.cpp +++ b/src/REACTION/fix_bond_react.cpp @@ -931,11 +931,11 @@ void FixBondReact::post_integrate() // reverse comm of distsq and partner // not needed if newton_pair off since I,J pair was seen by both procs commflag = 2; - if (force->newton_pair) comm->reverse_comm_fix(this); + if (force->newton_pair) comm->reverse_comm(this); } else { close_partner(); commflag = 2; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); } // each atom now knows its winning partner diff --git a/src/REAXFF/fix_acks2_reaxff.cpp b/src/REAXFF/fix_acks2_reaxff.cpp index eca4c1ed0d..c3457d1712 100644 --- a/src/REAXFF/fix_acks2_reaxff.cpp +++ b/src/REAXFF/fix_acks2_reaxff.cpp @@ -371,7 +371,7 @@ void FixACKS2ReaxFF::init_matvec() /* fill-in X matrix */ compute_X(); pack_flag = 4; - comm->reverse_comm_fix(this); //Coll_Vector(X_diag); + comm->reverse_comm(this); //Coll_Vector(X_diag); int ii, i; @@ -504,7 +504,7 @@ int FixACKS2ReaxFF::BiCGStab(double *b, double *x) sparse_matvec_acks2(&H, &X, x, d); pack_flag = 1; - comm->reverse_comm_fix(this); //Coll_Vector(d); + comm->reverse_comm(this); //Coll_Vector(d); more_reverse_comm(d); vector_sum(r , 1., b, -1., d, nn); @@ -547,7 +547,7 @@ int FixACKS2ReaxFF::BiCGStab(double *b, double *x) more_forward_comm(d); sparse_matvec_acks2(&H, &X, d, z); pack_flag = 2; - comm->reverse_comm_fix(this); //Coll_vector(z); + comm->reverse_comm(this); //Coll_vector(z); more_reverse_comm(z); tmp = parallel_dot(r_hat, z, nn); @@ -582,7 +582,7 @@ int FixACKS2ReaxFF::BiCGStab(double *b, double *x) more_forward_comm(q_hat); sparse_matvec_acks2(&H, &X, q_hat, y); pack_flag = 3; - comm->reverse_comm_fix(this); //Dist_vector(y); + comm->reverse_comm(this); //Dist_vector(y); more_reverse_comm(y); sigma = parallel_dot(y, q, nn); diff --git a/src/REAXFF/fix_qeq_reaxff.cpp b/src/REAXFF/fix_qeq_reaxff.cpp index 23c487e61d..72266b45ba 100644 --- a/src/REAXFF/fix_qeq_reaxff.cpp +++ b/src/REAXFF/fix_qeq_reaxff.cpp @@ -724,7 +724,7 @@ int FixQEqReaxFF::CG(double *b, double *x) pack_flag = 1; sparse_matvec(&H, x, q); - comm->reverse_comm_fix(this); //Coll_Vector(q); + comm->reverse_comm(this); //Coll_Vector(q); vector_sum(r , 1., b, -1., q, nn); @@ -740,7 +740,7 @@ int FixQEqReaxFF::CG(double *b, double *x) for (i = 1; i < imax && sqrt(sig_new) / b_norm > tolerance; ++i) { comm->forward_comm(this); //Dist_vector(d); sparse_matvec(&H, d, q); - comm->reverse_comm_fix(this); //Coll_vector(q); + comm->reverse_comm(this); //Coll_vector(q); tmp = parallel_dot(d, q, nn); alpha = sig_new / tmp; diff --git a/src/REPLICA/fix_hyper_local.cpp b/src/REPLICA/fix_hyper_local.cpp index e0c9e7b96b..6b6a672fa0 100644 --- a/src/REPLICA/fix_hyper_local.cpp +++ b/src/REPLICA/fix_hyper_local.cpp @@ -528,7 +528,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */) // forward comm acquires maxstrain of all current ghost atoms commflag = STRAIN; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); comm->forward_comm(this); //time3 = platform::walltime(); @@ -643,7 +643,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */) // forward comm acquires maxstrain_domain of all current ghost atoms commflag = STRAINDOMAIN; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); comm->forward_comm(this); //time5 = platform::walltime(); @@ -831,7 +831,7 @@ void FixHyperLocal::pre_reverse(int /* eflag */, int /* vflag */) // forward comm to set biasflag for all ghost atoms commflag = BIASFLAG; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); comm->forward_comm(this); // loop over Dcut full neighbor list @@ -1018,7 +1018,7 @@ void FixHyperLocal::build_bond_list(int natom) } commflag = BIASCOEFF; - comm->reverse_comm_fix_variable(this); + comm->reverse_comm_variable(this); mymax = 0; for (i = 0; i < nall; i++) mymax = MAX(mymax,numcoeff[i]); @@ -1349,7 +1349,7 @@ int FixHyperLocal::pack_reverse_comm(int n, int first, double *buf) } /* ---------------------------------------------------------------------- - callback by comm->reverse_comm_fix_variable() in build_bond() + callback by comm->reverse_comm_variable() in build_bond() same logic as BIASCOEFF option in pack_reverse_comm() m = returned size of message ------------------------------------------------------------------------- */ @@ -1372,7 +1372,7 @@ void FixHyperLocal::unpack_reverse_comm(int n, int *list, double *buf) // return if n = 0 // b/c if there are no atoms (n = 0), the message will not have - // been sent by Comm::reverse_comm_fix() or reverse_comm_fix_variable() + // been sent by Comm::reverse_comm() or reverse_comm_variable() // so must not read nonzero from first buf location (would be zero anyway) if (n == 0) return; diff --git a/src/RIGID/fix_rigid_small.cpp b/src/RIGID/fix_rigid_small.cpp index 67daea97dc..f04fe34108 100644 --- a/src/RIGID/fix_rigid_small.cpp +++ b/src/RIGID/fix_rigid_small.cpp @@ -706,7 +706,7 @@ void FixRigidSmall::setup(int vflag) // reverse communicate fcm, torque of all bodies commflag = FORCE_TORQUE; - comm->reverse_comm_fix(this,6); + comm->reverse_comm(this,6); // virial setup before call to set_v @@ -970,7 +970,7 @@ void FixRigidSmall::compute_forces_and_torques() // reverse communicate fcm, torque of all bodies commflag = FORCE_TORQUE; - comm->reverse_comm_fix(this,6); + comm->reverse_comm(this,6); // include Langevin thermostat forces and torques @@ -1182,7 +1182,7 @@ int FixRigidSmall::dof(int tgroup) } commflag = DOF; - comm->reverse_comm_fix(this,3); + comm->reverse_comm(this,3); // nall = count0 = # of point particles in each rigid body // mall = count1 = # of finite-size particles in each rigid body @@ -1958,7 +1958,7 @@ void FixRigidSmall::setup_bodies_static() // reverse communicate xcm, mass of all bodies commflag = XCM_MASS; - comm->reverse_comm_fix(this,8); + comm->reverse_comm(this,8); for (ibody = 0; ibody < nlocal_body; ibody++) { xcm = body[ibody].xcm; @@ -2093,7 +2093,7 @@ void FixRigidSmall::setup_bodies_static() // reverse communicate inertia tensor of all bodies commflag = ITENSOR; - comm->reverse_comm_fix(this,6); + comm->reverse_comm(this,6); // overwrite Cartesian inertia tensor with file values @@ -2303,7 +2303,7 @@ void FixRigidSmall::setup_bodies_static() // reverse communicate inertia tensor of all bodies commflag = ITENSOR; - comm->reverse_comm_fix(this,6); + comm->reverse_comm(this,6); // error check that re-computed moments of inertia match diagonalized ones // do not do test for bodies with params read from inpfile @@ -2442,7 +2442,7 @@ void FixRigidSmall::setup_bodies_dynamic() // reverse communicate vcm, angmom of all bodies commflag = VCM_ANGMOM; - comm->reverse_comm_fix(this,6); + comm->reverse_comm(this,6); // normalize velocity of COM diff --git a/src/SMTBQ/pair_smtbq.cpp b/src/SMTBQ/pair_smtbq.cpp index 62c4f40ce3..b01c214ac6 100644 --- a/src/SMTBQ/pair_smtbq.cpp +++ b/src/SMTBQ/pair_smtbq.cpp @@ -3412,7 +3412,7 @@ void PairSMTBQ::reverse(double *tab) for (i=0; ireverse_comm_pair(this); + comm->reverse_comm(this); for (i=0; i(tab[i]);} - comm->reverse_comm_pair(this); + comm->reverse_comm(this); for (i=0; i 0.1) tab[i] = int(tab_comm[i]); } diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp index 48d7d55663..1b588262e4 100644 --- a/src/SRD/fix_srd.cpp +++ b/src/SRD/fix_srd.cpp @@ -775,7 +775,7 @@ void FixSRD::post_force(int /*vflag*/) if (bigexist) { flocal = f; tlocal = torque; - comm->reverse_comm_fix(this); + comm->reverse_comm(this); } // if any SRD particle has moved too far, trigger reneigh on next step diff --git a/src/TALLY/compute_force_tally.cpp b/src/TALLY/compute_force_tally.cpp index 1a01d3f661..562a191f20 100644 --- a/src/TALLY/compute_force_tally.cpp +++ b/src/TALLY/compute_force_tally.cpp @@ -199,7 +199,7 @@ void ComputeForceTally::compute_peratom() // collect contributions from ghost atoms if (force->newton_pair) { - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // clear out ghost atom data after it has been collected to local atoms const int nall = atom->nlocal + atom->nghost; diff --git a/src/TALLY/compute_heat_flux_tally.cpp b/src/TALLY/compute_heat_flux_tally.cpp index c11cd61b12..46a6d60295 100644 --- a/src/TALLY/compute_heat_flux_tally.cpp +++ b/src/TALLY/compute_heat_flux_tally.cpp @@ -210,7 +210,7 @@ void ComputeHeatFluxTally::compute_vector() // collect contributions from ghost atoms if (force->newton_pair) { - comm->reverse_comm_compute(this); + comm->reverse_comm(this); const int nall = atom->nlocal + atom->nghost; for (int i = atom->nlocal; i < nall; ++i) { diff --git a/src/TALLY/compute_heat_flux_virial_tally.cpp b/src/TALLY/compute_heat_flux_virial_tally.cpp index 61f00bac7f..272544ea21 100644 --- a/src/TALLY/compute_heat_flux_virial_tally.cpp +++ b/src/TALLY/compute_heat_flux_virial_tally.cpp @@ -216,7 +216,7 @@ void ComputeHeatFluxVirialTally::compute_peratom() // collect contributions from ghost atoms if (force->newton_pair) { - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // clear out ghost atom data after it has been collected to local atoms const int nall = atom->nlocal + atom->nghost; diff --git a/src/TALLY/compute_pe_tally.cpp b/src/TALLY/compute_pe_tally.cpp index a455b3f7d6..39e8b5ba46 100644 --- a/src/TALLY/compute_pe_tally.cpp +++ b/src/TALLY/compute_pe_tally.cpp @@ -189,7 +189,7 @@ void ComputePETally::compute_peratom() // collect contributions from ghost atoms if (force->newton_pair) { - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // clear out ghost atom data after it has been collected to local atoms const int nall = atom->nlocal + atom->nghost; diff --git a/src/TALLY/compute_stress_tally.cpp b/src/TALLY/compute_stress_tally.cpp index 05fc362e62..1f28231ef2 100644 --- a/src/TALLY/compute_stress_tally.cpp +++ b/src/TALLY/compute_stress_tally.cpp @@ -227,7 +227,7 @@ void ComputeStressTally::compute_peratom() // collect contributions from ghost atoms if (force->newton_pair) { - comm->reverse_comm_compute(this); + comm->reverse_comm(this); const int nall = atom->nlocal + atom->nghost; for (int i = atom->nlocal; i < nall; ++i) diff --git a/src/comm.h b/src/comm.h index cba4b6f8be..3d8d217136 100644 --- a/src/comm.h +++ b/src/comm.h @@ -83,14 +83,14 @@ class Comm : protected Pointers { // forward/reverse comm from a Pair, Fix, Compute, Dump virtual void forward_comm(class Pair *) = 0; - virtual void reverse_comm_pair(class Pair *) = 0; + virtual void reverse_comm(class Pair *) = 0; virtual void forward_comm(class Fix *, int size = 0) = 0; - virtual void reverse_comm_fix(class Fix *, int size = 0) = 0; - virtual void reverse_comm_fix_variable(class Fix *) = 0; + virtual void reverse_comm(class Fix *, int size = 0) = 0; + virtual void reverse_comm_variable(class Fix *) = 0; virtual void forward_comm(class Compute *) = 0; - virtual void reverse_comm_compute(class Compute *) = 0; + virtual void reverse_comm(class Compute *) = 0; virtual void forward_comm(class Dump *) = 0; - virtual void reverse_comm_dump(class Dump *) = 0; + virtual void reverse_comm(class Dump *) = 0; // forward comm of an array // exchange of info on neigh stencil diff --git a/src/comm_brick.cpp b/src/comm_brick.cpp index ec8384f89b..c2ff19ec74 100644 --- a/src/comm_brick.cpp +++ b/src/comm_brick.cpp @@ -1040,7 +1040,7 @@ void CommBrick::forward_comm(Pair *pair) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommBrick::reverse_comm_pair(Pair *pair) +void CommBrick::reverse_comm(Pair *pair) { int iswap,n; double *buf; @@ -1126,7 +1126,7 @@ void CommBrick::forward_comm(Fix *fix, int size) some are smaller than max stored in its comm_forward ------------------------------------------------------------------------- */ -void CommBrick::reverse_comm_fix(Fix *fix, int size) +void CommBrick::reverse_comm(Fix *fix, int size) { int iswap,n,nsize; double *buf; @@ -1166,7 +1166,7 @@ void CommBrick::reverse_comm_fix(Fix *fix, int size) handshake sizes before each Irecv/Send to insure buf_recv is big enough ------------------------------------------------------------------------- */ -void CommBrick::reverse_comm_fix_variable(Fix *fix) +void CommBrick::reverse_comm_variable(Fix *fix) { int iswap,nsend,nrecv; double *buf; @@ -1249,7 +1249,7 @@ void CommBrick::forward_comm(Compute *compute) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommBrick::reverse_comm_compute(Compute *compute) +void CommBrick::reverse_comm(Compute *compute) { int iswap,n; double *buf; @@ -1326,7 +1326,7 @@ void CommBrick::forward_comm(Dump *dump) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommBrick::reverse_comm_dump(Dump *dump) +void CommBrick::reverse_comm(Dump *dump) { int iswap,n; double *buf; diff --git a/src/comm_brick.h b/src/comm_brick.h index 2376e13bf5..decc5ecf9c 100644 --- a/src/comm_brick.h +++ b/src/comm_brick.h @@ -32,17 +32,17 @@ class CommBrick : public Comm { void borders() override; // setup list of atoms to comm void forward_comm(class Pair *) override; // forward comm from a Pair - void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair + void reverse_comm(class Pair *) override; // reverse comm from a Pair void forward_comm(class Fix *, int size = 0) override; // forward comm from a Fix - void reverse_comm_fix(class Fix *, int size = 0) override; + void reverse_comm(class Fix *, int size = 0) override; // reverse comm from a Fix - void reverse_comm_fix_variable(class Fix *) override; + void reverse_comm_variable(class Fix *) override; // variable size reverse comm from a Fix void forward_comm(class Compute *) override; // forward from a Compute - void reverse_comm_compute(class Compute *) override; // reverse from a Compute + void reverse_comm(class Compute *) override; // reverse from a Compute void forward_comm(class Dump *) override; // forward comm from a Dump - void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump + void reverse_comm(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array int exchange_variable(int, double *, double *&) override; // exchange on neigh stencil diff --git a/src/comm_tiled.cpp b/src/comm_tiled.cpp index 1dce58b1c1..a7af454a8e 100644 --- a/src/comm_tiled.cpp +++ b/src/comm_tiled.cpp @@ -1423,7 +1423,7 @@ void CommTiled::forward_comm(Pair *pair) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiled::reverse_comm_pair(Pair *pair) +void CommTiled::reverse_comm(Pair *pair) { int i,irecv,n,nsend,nrecv; @@ -1523,7 +1523,7 @@ void CommTiled::forward_comm(Fix *fix, int size) some are smaller than max stored in its comm_forward ------------------------------------------------------------------------- */ -void CommTiled::reverse_comm_fix(Fix *fix, int size) +void CommTiled::reverse_comm(Fix *fix, int size) { int i,irecv,n,nsize,nsend,nrecv; @@ -1571,7 +1571,7 @@ void CommTiled::reverse_comm_fix(Fix *fix, int size) NOTE: how to setup one big buf recv with correct offsets ?? ------------------------------------------------------------------------- */ -void CommTiled::reverse_comm_fix_variable(Fix * /*fix*/) +void CommTiled::reverse_comm_variable(Fix * /*fix*/) { error->all(FLERR,"Reverse comm fix variable not yet supported by CommTiled"); } @@ -1629,7 +1629,7 @@ void CommTiled::forward_comm(Compute *compute) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiled::reverse_comm_compute(Compute *compute) +void CommTiled::reverse_comm(Compute *compute) { int i,irecv,n,nsend,nrecv; @@ -1722,7 +1722,7 @@ void CommTiled::forward_comm(Dump *dump) nsize used only to set recv buffer limit ------------------------------------------------------------------------- */ -void CommTiled::reverse_comm_dump(Dump *dump) +void CommTiled::reverse_comm(Dump *dump) { int i,irecv,n,nsend,nrecv; diff --git a/src/comm_tiled.h b/src/comm_tiled.h index 2c4d64fce8..c6a8a0b601 100644 --- a/src/comm_tiled.h +++ b/src/comm_tiled.h @@ -32,17 +32,17 @@ class CommTiled : public Comm { void borders() override; // setup list of atoms to comm void forward_comm(class Pair *) override; // forward comm from a Pair - void reverse_comm_pair(class Pair *) override; // reverse comm from a Pair + void reverse_comm(class Pair *) override; // reverse comm from a Pair void forward_comm(class Fix *, int size = 0) override; // forward comm from a Fix - void reverse_comm_fix(class Fix *, int size = 0) override; + void reverse_comm(class Fix *, int size = 0) override; // reverse comm from a Fix - void reverse_comm_fix_variable(class Fix *) override; + void reverse_comm_variable(class Fix *) override; // variable size reverse comm from a Fix void forward_comm(class Compute *) override; // forward from a Compute - void reverse_comm_compute(class Compute *) override; // reverse from a Compute + void reverse_comm(class Compute *) override; // reverse from a Compute void forward_comm(class Dump *) override; // forward comm from a Dump - void reverse_comm_dump(class Dump *) override; // reverse comm from a Dump + void reverse_comm(class Dump *) override; // reverse comm from a Dump void forward_comm_array(int, double **) override; // forward comm of array int exchange_variable(int, double *, double *&) override; // exchange on neigh stencil diff --git a/src/compute_aggregate_atom.cpp b/src/compute_aggregate_atom.cpp index 141c39002b..563cf4fd2c 100644 --- a/src/compute_aggregate_atom.cpp +++ b/src/compute_aggregate_atom.cpp @@ -172,7 +172,7 @@ void ComputeAggregateAtom::compute_peratom() // reverse communication when bonds are not stored on every processor if (force->newton_bond) - comm->reverse_comm_compute(this); + comm->reverse_comm(this); change = 0; while (true) { diff --git a/src/compute_centroid_stress_atom.cpp b/src/compute_centroid_stress_atom.cpp index 7e52e0a920..5c6e522199 100644 --- a/src/compute_centroid_stress_atom.cpp +++ b/src/compute_centroid_stress_atom.cpp @@ -331,7 +331,7 @@ void ComputeCentroidStressAtom::compute_peratom() // communicate ghost virials between neighbor procs if (force->newton || (force->kspace && force->kspace->tip4pflag && force->kspace->compute_flag)) - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // zero virial of atoms not in group // only do this after comm since ghost contributions must be included diff --git a/src/compute_pe_atom.cpp b/src/compute_pe_atom.cpp index 3df72726c8..a627e133e5 100644 --- a/src/compute_pe_atom.cpp +++ b/src/compute_pe_atom.cpp @@ -159,7 +159,7 @@ void ComputePEAtom::compute_peratom() // communicate ghost energy between neighbor procs if (force->newton || (force->kspace && force->kspace->tip4pflag)) - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // zero energy of atoms not in group // only do this after comm since ghost contributions must be included diff --git a/src/compute_stress_atom.cpp b/src/compute_stress_atom.cpp index d71623bc54..ab36200833 100644 --- a/src/compute_stress_atom.cpp +++ b/src/compute_stress_atom.cpp @@ -233,7 +233,7 @@ void ComputeStressAtom::compute_peratom() // communicate ghost virials between neighbor procs if (force->newton || (force->kspace && force->kspace->tip4pflag)) - comm->reverse_comm_compute(this); + comm->reverse_comm(this); // zero virial of atoms not in group // only do this after comm since ghost contributions must be included diff --git a/src/fix_neigh_history.cpp b/src/fix_neigh_history.cpp index 7156363334..2bdc015aa6 100644 --- a/src/fix_neigh_history.cpp +++ b/src/fix_neigh_history.cpp @@ -62,7 +62,7 @@ FixNeighHistory::FixNeighHistory(LAMMPS *lmp, int narg, char **arg) : if (newton_pair) comm_reverse = 1; // just for single npartner value // variable-size history communicated via - // reverse_comm_fix_variable() + // reverse_comm_variable() // perform initial allocation of atom-based arrays // register with atom class @@ -379,7 +379,7 @@ void FixNeighHistory::pre_exchange_newton() // perform reverse comm to augment owned npartner counts with ghost counts commflag = NPARTNER; - comm->reverse_comm_fix(this,0); + comm->reverse_comm(this,0); // get page chunks to store partner IDs and values for owned+ghost atoms @@ -439,7 +439,7 @@ void FixNeighHistory::pre_exchange_newton() // if many touching neighbors for large particle commflag = PERPARTNER; - comm->reverse_comm_fix_variable(this); + comm->reverse_comm_variable(this); // set maxpartner = max # of partners of any owned atom // maxexchange = max # of values for any Comm::exchange() atom @@ -741,7 +741,7 @@ void FixNeighHistory::set_arrays(int i) } /* ---------------------------------------------------------------------- - only called by Comm::reverse_comm_fix_variable for PERPARTNER mode + only called by Comm::reverse_comm_variable for PERPARTNER mode ------------------------------------------------------------------------- */ int FixNeighHistory::pack_reverse_comm_size(int n, int first)