| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime armclang_2 (%) | Exclusive Coverage armclang_2 (%) | Inclusive Coverage armclang_2 (%) | Max Exclusive Time Over Threads armclang_2 (s) | Max Inclusive Time Over Threads armclang_2 (s) | Exclusive Time w.r.t. Wall Time armclang_2 (s) | Inclusive Time w.r.t. Wall Time armclang_2 (s) | Nb Threads armclang_2 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing armclang_2 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 19108 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 46.76 | 46.52 | 46.52 | 197.57 | 197.57 | 195.68 | 195.68 | 64 | 22.22 | 29.51 | 2.26 | 1.65 | 4.37 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 19111 | exec - pair_eam.cpp:188-215 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 28.10 | 28.09 | 28.46 | 118.71 | 120.29 | 118.16 | 119.72 | 64 | 19.35 | 28.23 | 2.22 | 1.76 | 4.54 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 1208 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 12.55 | 12.47 | 12.47 | 53.01 | 53.01 | 52.46 | 52.46 | 64 | 21.05 | 26.97 | 3.22 | 1.81 | 4.94 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 11063 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 2.32 | 2.31 | 2.31 | 9.80 | 9.80 | 9.71 | 9.71 | 64 | 7.14 | 26.34 | 1.25 | 1.18 | 4.08 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 1207 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.91 | 1.78 | 14.38 | 8.07 | 61.20 | 7.48 | 60.48 | 64 | 0 | 18.75 | 1 | 1 | 7.16 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 11065 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.45 | 1.42 | 1.42 | 6.13 | 6.13 | 5.98 | 5.98 | 64 | 6.67 | 25.83 | 1.38 | 1.32 | 2.76 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 19112 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 1.52 | 1.41 | 29.87 | 6.42 | 126.24 | 5.93 | 125.66 | 64 | 25 | 31.25 | 1.89 | 1.7 | 3.24 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 19107 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.92 | 0.85 | 47.36 | 3.89 | 201.25 | 3.55 | 199.23 | 64 | 28.57 | 28.57 | 2.89 | 1 | 4.84 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 6764 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.52 | 0.49 | 0.49 | 2.20 | 2.20 | 2.08 | 2.08 | 64 | 0 | 17.5 | 3 | 1 | 7.38 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 19110 | exec - pair_eam.cpp:188-197 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.43 | 0.37 | 0.37 | 1.80 | 1.80 | 1.56 | 1.56 | 64 | 0 | 25 | 1 | 1 | 4 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 19109 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.38 | 0.35 | 0.35 | 1.59 | 1.59 | 1.47 | 1.47 | 64 | 9.09 | 26.14 | 1.52 | 1.31 | 4.14 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 5940 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.26 | 0.23 | 0.23 | 1.12 | 1.12 | 0.97 | 0.97 | 64 | 7.69 | 26.92 | 1.24 | 1.24 | 3.65 | 1.15 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 972 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.22 | 0.21 | 0.21 | 0.94 | 0.94 | 0.88 | 0.88 | 64 | 36.36 | 34.09 | 1.69 | 1.5 | 3.27 | 1.08 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 6759 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.23 | 0.20 | 0.20 | 0.97 | 0.97 | 0.85 | 0.85 | 64 | 0 | 17.65 | 6.44 | 1 | 6.87 | 1.14 | NA | NA | NA | NA | NA | 0.00 |
| 5839 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.28 | 0.19 | 0.19 | 1.18 | 1.18 | 0.79 | 0.79 | 64 | 0 | 25 | 1.31 | 1 | 4 | 1.5 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 980 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.17 | 0.16 | 0.16 | 0.73 | 0.73 | 0.68 | 0.68 | 64 | 0 | 25 | 1.31 | 1 | 4 | 1.07 | 2 | 0 | 0 | 2 | 0 | 75.00 |
| 1206 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.18 | 0.15 | 14.53 | 0.75 | 61.84 | 0.63 | 61.12 | 64 | 7.69 | 20.19 | 9 | 1 | 6.11 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
| 1209 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.16 | 0.13 | 0.13 | 0.68 | 0.68 | 0.54 | 0.54 | 64 | 18.52 | 26.85 | 1.71 | 1.64 | 4.62 | 1.26 | NA | NA | NA | NA | NA | 0.00 |
| 14370 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.12 | 0.10 | 0.10 | 0.49 | 0.49 | 0.41 | 0.41 | 64 | 0 | 14.06 | 1 | 1 | 7.06 | 1.19 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 8860 | exec - domain.cpp:806-871 | LAMMPS_NS::Domain::pbc() | Innermost | 0.09 | 0.08 | 0.08 | 0.37 | 0.37 | 0.33 | 0.33 | 64 | 3.26 | 23.23 | 1.73 | 1.33 | 4.86 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 19120 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.09 | 0.07 | 0.07 | 0.40 | 0.40 | 0.31 | 0.31 | 64 | 0 | 25 | 1.25 | 1 | 4 | 1.27 | 1 | 1 | 0 | 0 | 1 | 66.67 |
| 5840 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.15 | 0.07 | 0.07 | 0.62 | 0.62 | 0.28 | 0.28 | 56 | 0 | 25 | 1.31 | 1.31 | 4 | 1.93 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 5962 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.06 | 0.06 | 0.44 | 0.44 | 0.26 | 0.26 | 64 | 0 | 26.14 | 2.08 | 1 | 4.7 | 1.68 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 19127 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.07 | 0.05 | 0.05 | 0.29 | 0.29 | 0.22 | 0.22 | 64 | 0 | 25 | 1.33 | 1.19 | 4 | 1.29 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 6008 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.07 | 0.04 | 0.04 | 0.28 | 0.28 | 0.18 | 0.18 | 64 | 0 | 20 | 1.85 | 1 | 5.19 | 1.6 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 1998 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.03 | 0.03 | 0.03 | 0.14 | 0.14 | 0.13 | 0.13 | 64 | 0 | 25 | 1.11 | 1.05 | 4 | 1.1 | 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 | 0.05 | 0.02 | 0.02 | 0.20 | 0.20 | 0.08 | 0.08 | 56 | 0 | 25.89 | 2.08 | 1.35 | 4.7 | 2.24 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 8421 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.02 | 0.02 | 0.02 | 0.08 | 0.08 | 0.07 | 0.07 | 64 | 18.18 | 28.41 | 1.67 | 1.58 | 4.62 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 19124 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Innermost | 0.02 | 0.01 | 0.01 | 0.09 | 0.09 | 0.04 | 0.04 | 64 | 80 | 85 | 1 | 1 | 1 | 2.56 | 0 | 0 | 2 | 0 | 0 | 75.00 |
