| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime armclang_1 (%) | Exclusive Coverage armclang_1 (%) | Inclusive Coverage armclang_1 (%) | Max Exclusive Time Over Threads armclang_1 (s) | Max Inclusive Time Over Threads armclang_1 (s) | Exclusive Time w.r.t. Wall Time armclang_1 (s) | Inclusive Time w.r.t. Wall Time armclang_1 (s) | Nb Threads armclang_1 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing armclang_1 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 19133 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 46.18 | 45.46 | 45.46 | 92.27 | 92.27 | 90.42 | 90.42 | 96 | 22.22 | 59.03 | 2.26 | 1 | 1.19 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 19136 | exec - pair_eam.cpp:188-215 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 27.23 | 26.85 | 26.97 | 54.42 | 54.63 | 53.41 | 53.64 | 96 | 19.35 | 56.45 | 2.22 | 1 | 1.2 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 1213 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 13.07 | 12.78 | 12.78 | 26.11 | 26.11 | 25.42 | 25.42 | 96 | 21.05 | 53.95 | 3.22 | 1 | 1.22 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 11078 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 2.84 | 2.82 | 2.82 | 5.68 | 5.68 | 5.60 | 5.60 | 96 | 7.14 | 52.68 | 1.25 | 1.16 | 1.56 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 11080 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.83 | 1.73 | 1.73 | 3.66 | 3.66 | 3.44 | 3.44 | 96 | 6.67 | 51.67 | 1.38 | 1.26 | 1.49 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 1212 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.74 | 1.59 | 14.51 | 3.48 | 29.45 | 3.16 | 28.86 | 96 | 0 | 37.5 | 1 | 1 | 3.58 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 19137 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 1.60 | 1.47 | 28.44 | 3.21 | 57.40 | 2.92 | 56.57 | 96 | 25 | 62.5 | 1.89 | 1.7 | 1.17 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 6771 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.64 | 0.61 | 0.61 | 1.29 | 1.29 | 1.21 | 1.21 | 96 | 0 | 35 | 3 | 1 | 3.69 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 19132 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.54 | 0.42 | 45.88 | 1.08 | 93.13 | 0.84 | 91.27 | 96 | 28.57 | 57.14 | 2.89 | 1 | 1.21 | 1.28 | NA | NA | NA | NA | NA | 0.00 |
| 19134 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.47 | 0.39 | 0.39 | 0.94 | 0.94 | 0.78 | 0.78 | 96 | 9.09 | 52.27 | 1.52 | 1.29 | 1.38 | 1.2 | NA | NA | NA | NA | NA | 0.00 |
| 976 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.36 | 0.28 | 0.28 | 0.71 | 0.71 | 0.55 | 0.55 | 96 | 36.36 | 68.18 | 1.69 | 1.09 | 1.2 | 1.29 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 5839 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.40 | 0.26 | 0.26 | 0.79 | 0.79 | 0.53 | 0.53 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1.5 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 5940 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.34 | 0.26 | 0.26 | 0.68 | 0.68 | 0.51 | 0.51 | 96 | 9.09 | 54.55 | 1.24 | 1.24 | 1.56 | 1.32 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 6766 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.28 | 0.25 | 0.25 | 0.55 | 0.55 | 0.49 | 0.49 | 96 | 0 | 35.29 | 8.29 | 1 | 3.44 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 984 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.26 | 0.21 | 0.21 | 0.51 | 0.51 | 0.41 | 0.41 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1.24 | 2 | 0 | 0 | 2 | 0 | 75.00 |
| 1214 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.17 | 0.14 | 0.14 | 0.34 | 0.34 | 0.27 | 0.27 | 96 | 18.52 | 53.7 | 1.71 | 1 | 1.05 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 1211 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.17 | 0.14 | 14.64 | 0.34 | 29.73 | 0.27 | 29.13 | 96 | 7.69 | 40.38 | 9 | 1 | 1.33 | 1.26 | NA | NA | NA | NA | NA | 0.00 |
| 19135 | exec - pair_eam.cpp:188-197 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.15 | 0.12 | 0.12 | 0.31 | 0.31 | 0.23 | 0.23 | 96 | 0 | 50 | 1 | 1 | 2 | 1.32 | NA | NA | NA | NA | NA | 0.00 |
| 14387 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.14 | 0.11 | 0.11 | 0.28 | 0.28 | 0.22 | 0.22 | 96 | 0 | 29.17 | 1 | 1 | 3.53 | 1.31 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 8876 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Single | 0.12 | 0.10 | 0.10 | 0.25 | 0.25 | 0.19 | 0.19 | 96 | 3.6 | 47.07 | 1.67 | 1.22 | 1.53 | 1.27 | NA | NA | NA | NA | NA | 0.00 |
| 5840 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.22 | 0.07 | 0.07 | 0.43 | 0.43 | 0.15 | 0.15 | 80 | 0 | 50 | 1.31 | 1.13 | 2 | 2.44 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 19145 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.07 | 0.07 | 0.23 | 0.23 | 0.15 | 0.15 | 96 | 0 | 50 | 1.25 | 1 | 2 | 1.58 | 1 | 1 | 0 | 0 | 1 | 66.67 |
| 5962 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.11 | 0.07 | 0.07 | 0.22 | 0.22 | 0.14 | 0.14 | 96 | 0 | 52.78 | 2.08 | 1 | 1.5 | 1.57 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 19152 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.07 | 0.05 | 0.05 | 0.14 | 0.14 | 0.10 | 0.10 | 96 | 0 | 50 | 1.33 | 1.14 | 2 | 1.46 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 6008 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.08 | 0.05 | 0.05 | 0.16 | 0.16 | 0.09 | 0.09 | 96 | 0 | 40 | 1.85 | 1 | 2.59 | 1.7 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 2017 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.05 | 0.04 | 0.04 | 0.09 | 0.09 | 0.08 | 0.08 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1.23 | 3 | 0 | 0 | 2 | 0 | 80.00 |
| 5963 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.07 | 0.02 | 0.02 | 0.14 | 0.14 | 0.04 | 0.04 | 80 | 0 | 52.08 | 2.08 | 1.26 | 1.5 | 2.78 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 8437 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.02 | 0.02 | 0.05 | 0.05 | 0.04 | 0.04 | 96 | 18.18 | 56.82 | 1.67 | 1 | 1.3 | 1.36 | NA | NA | NA | NA | NA | 0.00 |
| 19149 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Innermost | 0.03 | 0.01 | 0.01 | 0.06 | 0.06 | 0.02 | 0.02 | 95 | 66.67 | 83.33 | 1 | 1 | 1.09 | 2.91 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 19146 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Innermost | 0.02 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 92 | 66.67 | 83.33 | 1 | 1 | 1.09 | 2.25 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 3773 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 | 81 | 0 | 30.8 | 6.72 | 1 | 3.84 | 2.64 | NA | NA | NA | NA | NA | 0.00 |
| 14388 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.01 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 | 75 | 0 | 25 | 1 | 1 | 4 | 2.86 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 8675 | exec - create_atoms.cpp:1467-1614 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.01 | 0.01 | 75 | 8.2 | 48.36 | 2.38 | 1 | 1.27 | 2.46 | NA | NA | NA | NA | NA | 0.00 |
| 1210 | exec - my_page.h:51-91 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.01 | 0.00 | 14.65 | 0.02 | 29.75 | 0.00 | 29.13 | 42 | NA | NA | NA | NA | NA | 2.75 | NA | NA | NA | NA | NA | 0.00 |
| 1129 | exec - memory.h:190-192 | double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*) | Single | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 48 | 0 | 50 | 1 | 1 | 2 | 3.2 | 1 | 0 | 0 | 1 | 0 | 75.00 |
