| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime armclang_5 (%) | Exclusive Coverage armclang_5 (%) | Inclusive Coverage armclang_5 (%) | Max Exclusive Time Over Threads armclang_5 (s) | Max Inclusive Time Over Threads armclang_5 (s) | Exclusive Time w.r.t. Wall Time armclang_5 (s) | Inclusive Time w.r.t. Wall Time armclang_5 (s) | Nb Threads armclang_5 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing armclang_5 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 16946 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 45.97 | 45.25 | 45.25 | 92.50 | 92.50 | 90.61 | 90.61 | 96 | 22.22 | 59.03 | 2.26 | 1 | 1.19 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 16949 | exec - pair_eam.cpp:188-215 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 27.28 | 26.96 | 27.08 | 54.90 | 55.12 | 53.98 | 54.23 | 96 | 19.35 | 56.45 | 2.22 | 1 | 1.2 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 1089 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 13.43 | 13.22 | 13.22 | 27.04 | 27.04 | 26.47 | 26.47 | 96 | 19.23 | 55.77 | 2.44 | 1 | 1 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 9764 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 2.86 | 2.83 | 2.83 | 5.76 | 5.76 | 5.66 | 5.66 | 96 | 7.14 | 52.68 | 1.25 | 1.16 | 1.56 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 9766 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.81 | 1.74 | 1.74 | 3.64 | 3.64 | 3.49 | 3.49 | 96 | 6.67 | 51.67 | 1.38 | 1.26 | 1.49 | 1.04 | NA | NA | NA | NA | NA | 0.00 |
| 1088 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.65 | 1.53 | 14.75 | 3.33 | 30.04 | 3.06 | 29.54 | 96 | 0 | 35 | 1 | 1 | 3.56 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 16950 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 1.64 | 1.47 | 28.54 | 3.31 | 58.04 | 2.93 | 57.16 | 96 | 25 | 62.5 | 1.89 | 1.7 | 1.17 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 5756 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.65 | 0.61 | 0.61 | 1.30 | 1.30 | 1.23 | 1.23 | 96 | 0 | 35 | 3 | 1 | 3.69 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 16945 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.56 | 0.44 | 45.68 | 1.13 | 93.39 | 0.87 | 91.48 | 96 | 28.57 | 57.14 | 2.89 | 1 | 1.21 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
| 16947 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.46 | 0.39 | 0.39 | 0.92 | 0.92 | 0.78 | 0.78 | 96 | 9.09 | 52.27 | 1.52 | 1.29 | 1.38 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
| 880 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.33 | 0.27 | 0.27 | 0.67 | 0.67 | 0.55 | 0.55 | 96 | 36.36 | 68.18 | 1.69 | 1.09 | 1.2 | 1.21 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 4961 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.38 | 0.26 | 0.26 | 0.76 | 0.76 | 0.53 | 0.53 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1.43 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 5061 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.32 | 0.25 | 0.25 | 0.64 | 0.64 | 0.51 | 0.51 | 96 | 9.09 | 54.55 | 1.24 | 1.24 | 1.56 | 1.25 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 5752 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.28 | 0.24 | 0.24 | 0.56 | 0.56 | 0.48 | 0.48 | 96 | 0 | 35.29 | 8.29 | 1 | 3.44 | 1.17 | NA | NA | NA | NA | NA | 0.00 |
| 887 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.24 | 0.21 | 0.21 | 0.47 | 0.47 | 0.41 | 0.41 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1.15 | 2 | 0 | 0 | 2 | 0 | 75.00 |
| 1087 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.20 | 0.14 | 14.89 | 0.40 | 30.34 | 0.29 | 29.83 | 96 | 7.69 | 39.42 | 10.71 | 1 | 1.4 | 1.38 | NA | NA | NA | NA | NA | 0.00 |
| 16948 | exec - pair_eam.cpp:188-197 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.16 | 0.12 | 0.12 | 0.32 | 0.32 | 0.24 | 0.24 | 96 | 0 | 50 | 1 | 1 | 2 | 1.32 | NA | NA | NA | NA | NA | 0.00 |
| 12701 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.15 | 0.11 | 0.11 | 0.31 | 0.31 | 0.22 | 0.22 | 96 | 0 | 29.17 | 1 | 1 | 3.53 | 1.37 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 7697 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Single | 0.12 | 0.10 | 0.10 | 0.24 | 0.24 | 0.19 | 0.19 | 96 | 3.6 | 47.07 | 1.67 | 1.22 | 1.53 | 1.27 | NA | NA | NA | NA | NA | 0.00 |
| 5083 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.11 | 0.07 | 0.07 | 0.23 | 0.23 | 0.14 | 0.14 | 96 | 0 | 52.78 | 2.08 | 1 | 1.5 | 1.62 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 4962 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.22 | 0.07 | 0.07 | 0.44 | 0.44 | 0.14 | 0.14 | 80 | 0 | 50 | 1.31 | 1.13 | 2 | 2.63 | 2 | 0 | 0 | 1 | 1 | 62.50 |
| 16958 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.10 | 0.07 | 0.07 | 0.20 | 0.20 | 0.13 | 0.13 | 96 | 0 | 50 | 1.5 | 1 | 2 | 1.54 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 16965 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.09 | 0.05 | 0.05 | 0.18 | 0.18 | 0.10 | 0.10 | 96 | 0 | 50 | 1.33 | 1.14 | 2 | 1.77 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 5129 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.08 | 0.04 | 0.04 | 0.16 | 0.16 | 0.09 | 0.09 | 96 | 0 | 40 | 1.85 | 1 | 2.59 | 1.79 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 1688 | 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 | 1.18 | 3 | 0 | 0 | 2 | 0 | 80.00 |
| 7333 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.02 | 0.02 | 0.06 | 0.06 | 0.04 | 0.04 | 96 | 18.18 | 56.82 | 1.67 | 1 | 1.3 | 1.53 | NA | NA | NA | NA | NA | 0.00 |
| 5084 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.06 | 0.02 | 0.02 | 0.13 | 0.13 | 0.04 | 0.04 | 80 | 0 | 52.08 | 2.08 | 1.26 | 1.5 | 2.52 | 1 | 0 | 0 | 1 | 4 | 25.00 |
| 16962 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Innermost | 0.02 | 0.01 | 0.01 | 0.05 | 0.05 | 0.02 | 0.02 | 95 | 66.67 | 83.33 | 1 | 1 | 1.09 | 2.11 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 16959 | 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 | 89 | 66.67 | 83.33 | 1 | 1 | 1.09 | 2.34 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 3108 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.04 | 0.04 | 0.01 | 0.01 | 77 | 0 | 31.25 | 6.62 | 1 | 3.83 | 4.13 | NA | NA | NA | NA | NA | 0.00 |
| 12702 | 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 | 67 | 0 | 25 | 1 | 1 | 4 | 2.72 | 1 | 0 | 0 | 0 | 0 | 100.00 |
