| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime armclang_4 (%) | Exclusive Coverage armclang_4 (%) | Inclusive Coverage armclang_4 (%) | Max Exclusive Time Over Threads armclang_4 (s) | Max Inclusive Time Over Threads armclang_4 (s) | Exclusive Time w.r.t. Wall Time armclang_4 (s) | Inclusive Time w.r.t. Wall Time armclang_4 (s) | Nb Threads armclang_4 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing armclang_4 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 17698 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 47.07 | 46.26 | 46.26 | 95.42 | 95.42 | 93.37 | 93.37 | 96 | 13.51 | 54.05 | 2.31 | 1.56 | 1.19 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 17701 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.36 | 28.01 | 28.01 | 57.51 | 57.51 | 56.53 | 56.53 | 96 | 12.3 | 55.15 | 1.73 | 1.54 | 1.21 | 1.02 | 2.75 | 0 | 0 | 3 | 5 | 43.71 |
| 1167 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 12.48 | 12.21 | 12.21 | 25.30 | 25.30 | 24.65 | 24.65 | 96 | 5.56 | 45.83 | 3 | 1.59 | 1.24 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 10373 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 2.82 | 2.77 | 2.77 | 5.72 | 5.72 | 5.59 | 5.59 | 96 | 7.14 | 52.68 | 1.25 | 1.16 | 1.56 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 10375 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.84 | 1.71 | 1.71 | 3.73 | 3.73 | 3.45 | 3.45 | 96 | 6.67 | 51.67 | 1.38 | 1.26 | 1.49 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 1166 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.76 | 1.63 | 13.89 | 3.57 | 28.62 | 3.28 | 28.04 | 96 | 11.11 | 41.67 | 2.7 | 1 | 1.4 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 6431 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.64 | 0.60 | 0.60 | 1.30 | 1.30 | 1.21 | 1.21 | 96 | 0 | 35 | 3 | 1 | 3.69 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 17697 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.55 | 0.44 | 46.70 | 1.12 | 96.21 | 0.89 | 94.26 | 96 | 16.67 | 50 | 4.17 | 1 | 1.3 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 17699 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.44 | 0.36 | 0.36 | 0.90 | 0.90 | 0.72 | 0.72 | 96 | 9.09 | 52.27 | 1.52 | 1.29 | 1.38 | 1.24 | NA | NA | NA | NA | NA | 0.00 |
| 938 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.36 | 0.28 | 0.28 | 0.74 | 0.74 | 0.56 | 0.56 | 96 | 18.18 | 59.09 | 1.69 | 1.69 | 1.33 | 1.32 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 5591 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.39 | 0.27 | 0.27 | 0.79 | 0.79 | 0.54 | 0.54 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1.47 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 5672 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.35 | 0.26 | 0.26 | 0.71 | 0.71 | 0.52 | 0.52 | 96 | 9.09 | 54.55 | 1.24 | 1.24 | 1.56 | 1.37 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 6426 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.29 | 0.25 | 0.25 | 0.59 | 0.59 | 0.49 | 0.49 | 96 | 0 | 35.29 | 8.29 | 1 | 3.44 | 1.2 | NA | NA | NA | NA | NA | 0.00 |
| 945 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.24 | 0.20 | 0.20 | 0.48 | 0.48 | 0.41 | 0.41 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1.18 | 2 | 0 | 0 | 2 | 0 | 75.00 |
| 17700 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.24 | 0.19 | 28.20 | 0.48 | 57.82 | 0.38 | 56.91 | 96 | 11.11 | 47.22 | 4 | 1 | 1.41 | 1.27 | NA | NA | NA | NA | NA | 0.00 |
| 1169 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.17 | 0.13 | 14.02 | 0.34 | 28.85 | 0.26 | 28.30 | 96 | 5.26 | 44.74 | 3.22 | 1.58 | 1.21 | 1.31 | NA | NA | NA | NA | NA | 0.00 |
| 13358 | 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 | 1.29 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 8373 | exec - domain.cpp:806-871 | LAMMPS_NS::Domain::pbc() | Innermost | 0.13 | 0.09 | 0.09 | 0.25 | 0.25 | 0.18 | 0.18 | 96 | 3.26 | 46.47 | 1.73 | 1.23 | 1.53 | 1.4 | NA | NA | NA | NA | NA | 0.00 |
| 5592 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.21 | 0.07 | 0.07 | 0.43 | 0.43 | 0.14 | 0.14 | 80 | 0 | 50 | 1.31 | 1.13 | 2 | 2.51 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 5691 | 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 | 1.53 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 17708 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.11 | 0.07 | 0.07 | 0.23 | 0.23 | 0.14 | 0.14 | 96 | 0 | 50 | 1.25 | 1 | 2 | 1.67 | 1 | 1 | 0 | 0 | 1 | 66.67 |
| 1165 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.08 | 0.05 | 0.05 | 0.17 | 0.17 | 0.10 | 0.10 | 96 | 0 | 33.75 | 1 | 1 | 3.38 | 1.63 | NA | NA | NA | NA | NA | 0.00 |
| 17711 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.08 | 0.05 | 0.05 | 0.16 | 0.16 | 0.10 | 0.10 | 96 | 0 | 50 | 1.33 | 1.14 | 2 | 1.6 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 5728 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.09 | 0.05 | 0.05 | 0.17 | 0.17 | 0.10 | 0.10 | 96 | 0 | 40 | 1.85 | 1 | 2.59 | 1.83 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 1961 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.04 | 0.04 | 0.04 | 0.09 | 0.09 | 0.08 | 0.08 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1.2 | 3 | 0 | 0 | 2 | 0 | 80.00 |
| 7953 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.02 | 0.02 | 0.07 | 0.07 | 0.04 | 0.04 | 96 | 11.11 | 52.78 | 1.67 | 1.5 | 1.3 | 1.69 | NA | NA | NA | NA | NA | 0.00 |
| 5692 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.06 | 0.02 | 0.02 | 0.12 | 0.12 | 0.04 | 0.04 | 80 | 0 | 52.08 | 2.08 | 1.26 | 1.5 | 2.51 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 17710 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.03 | 0.02 | 0.02 | 0.06 | 0.06 | 0.03 | 0.03 | 96 | 0 | 50 | 1 | 1 | 2 | 1.86 | 0 | 0 | 0 | 0 | 0 | 0.00 |
| 17709 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.03 | 0.01 | 0.01 | 0.06 | 0.06 | 0.02 | 0.02 | 95 | 0 | 50 | 1 | 1 | 2 | 2.54 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 1168 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.02 | 0.01 | 14.03 | 0.04 | 28.89 | 0.01 | 28.31 | 89 | 0 | 50 | 1 | 1 | 2 | 2.5 | NA | NA | NA | NA | NA | 0.00 |
| 3650 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.01 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 | 80 | 0 | 30.8 | 6.72 | 1 | 3.84 | 2.45 | NA | NA | NA | NA | NA | 0.00 |
| 13359 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.02 | 0.00 | 0.00 | 0.04 | 0.04 | 0.01 | 0.01 | 76 | 0 | 25 | 1 | 1 | 4 | 3.73 | 1 | 0 | 0 | 0 | 0 | 100.00 |
