| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_5 (%) | Exclusive Coverage gcc_5 (%) | Inclusive Coverage gcc_5 (%) | Max Exclusive Time Over Threads gcc_5 (s) | Max Inclusive Time Over Threads gcc_5 (s) | Exclusive Time w.r.t. Wall Time gcc_5 (s) | Inclusive Time w.r.t. Wall Time gcc_5 (s) | Nb Threads gcc_5 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_5 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 22901 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 46.50 | 45.70 | 45.70 | 97.27 | 97.27 | 95.17 | 95.17 | 96 | 12.05 | 53.01 | 2.67 | 1.48 | 1.25 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 22902 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.86 | 28.48 | 28.48 | 60.36 | 60.36 | 59.31 | 59.31 | 96 | 10.64 | 51.68 | 2.28 | 1.59 | 1.19 | 1.02 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1771 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 11.48 | 11.23 | 13.99 | 24.01 | 29.85 | 23.38 | 29.14 | 96 | 5.88 | 45.59 | 3.67 | 1.37 | 1.35 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 14524 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.72 | 2.68 | 2.68 | 5.68 | 5.68 | 5.58 | 5.58 | 96 | 5.03 | 44.51 | 1.23 | 1.14 | 1.65 | 1.02 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 14528 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.80 | 1.65 | 1.65 | 3.75 | 3.75 | 3.45 | 3.45 | 96 | 6.25 | 50 | 1.37 | 1.17 | 1.6 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 1772 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.74 | 1.61 | 1.61 | 3.63 | 3.63 | 3.35 | 3.35 | 96 | 0 | 43.75 | 1 | 1 | 1.27 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 1769 | exec - npair_bin.cpp:112-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.26 | 1.15 | 1.15 | 2.64 | 2.64 | 2.40 | 2.40 | 96 | 0 | 25 | 1 | 1 | 4 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 9180 | exec - comm_brick.cpp:841-915 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.62 | 0.58 | 0.58 | 1.30 | 1.30 | 1.21 | 1.21 | 96 | 0 | 35.29 | 14 | 1 | 3.61 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 22896 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.43 | 0.37 | 0.37 | 0.90 | 0.90 | 0.77 | 0.77 | 96 | 8.33 | 49.31 | 1.79 | 1.3 | 1.41 | 1.16 | NA | NA | NA | NA | NA | 0.00 |
| 22897 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.44 | 0.34 | 46.04 | 0.91 | 98.00 | 0.71 | 95.89 | 96 | 9.09 | 52.27 | 5.75 | 1 | 1.61 | 1.28 | NA | NA | NA | NA | NA | 0.00 |
| 1773 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.41 | 0.34 | 0.34 | 0.87 | 0.87 | 0.70 | 0.70 | 96 | NA | NA | NA | NA | NA | 1.24 | NA | NA | NA | NA | NA | 0.00 |
| 1450 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.38 | 0.27 | 0.27 | 0.78 | 0.78 | 0.55 | 0.55 | 96 | 18.18 | 59.09 | 1.5 | 1.5 | 1.2 | 1.42 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 8150 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.38 | 0.25 | 0.25 | 0.79 | 0.79 | 0.51 | 0.51 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.53 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8008 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.30 | 0.24 | 0.24 | 0.63 | 0.63 | 0.50 | 0.50 | 96 | 9.09 | 54.55 | 1.25 | 1.18 | 1.54 | 1.27 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 9130 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.26 | 0.24 | 0.24 | 0.55 | 0.55 | 0.49 | 0.49 | 96 | 0 | 37.34 | 2.22 | 1 | 2.85 | 1.12 | 2 | 0 | 0 | 3.67 | 0 | 63.39 |
| 2757 | exec - pair.cpp:1057-1125 [...] | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.26 | 0.21 | 0.21 | 0.54 | 0.54 | 0.44 | 0.44 | 96 | 58.62 | 72.41 | 2.14 | 1 | 1.08 | 1.22 | NA | NA | NA | NA | NA | 0.00 |
| 22895 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.25 | 0.20 | 28.68 | 0.53 | 60.71 | 0.42 | 59.73 | 96 | 11.9 | 52.38 | 4.5 | 1 | 1.57 | 1.26 | NA | NA | NA | NA | NA | 50.00 |
| 1615 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.23 | 0.20 | 0.20 | 0.49 | 0.49 | 0.41 | 0.41 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.18 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 18188 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.14 | 0.11 | 0.11 | 0.28 | 0.28 | 0.22 | 0.22 | 96 | 0 | 29.76 | 1 | 1 | 4 | 1.27 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 11695 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.11 | 0.09 | 0.09 | 0.23 | 0.23 | 0.19 | 0.19 | 96 | 3.1 | 44.19 | 1.67 | 1.15 | 1.74 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 8109 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.11 | 0.07 | 0.07 | 0.24 | 0.24 | 0.14 | 0.14 | 96 | 0 | 50 | 2.22 | 1 | 1.76 | 1.68 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 22849 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Outermost | 0.10 | 0.07 | 0.07 | 0.20 | 0.20 | 0.14 | 0.14 | 96 | 0 | 50 | 1.5 | 1 | 2 | 1.42 | NA | NA | NA | NA | NA | 0.00 |
| 8126 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.19 | 0.07 | 0.07 | 0.40 | 0.40 | 0.14 | 0.14 | 80 | 0 | 50 | 1.33 | 1.14 | 2 | 2.39 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1776 | exec - my_page.h:51-91 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.08 | 0.05 | 0.09 | 0.18 | 0.27 | 0.10 | 0.19 | 96 | 2.86 | 35 | 9 | 1 | 1.8 | 1.73 | NA | NA | NA | NA | NA | 0.00 |
| 22855 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.08 | 0.05 | 0.05 | 0.17 | 0.17 | 0.10 | 0.10 | 96 | 0 | 47.22 | 1.33 | 1.07 | 2.29 | 1.68 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 8091 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.07 | 0.05 | 0.05 | 0.15 | 0.15 | 0.10 | 0.10 | 96 | 0 | 45 | 2 | 1 | 1.85 | 1.56 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 18167 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.07 | 0.04 | 0.04 | 0.14 | 0.14 | 0.09 | 0.09 | 96 | 0 | 41.96 | 1.98 | 1.26 | 2.7 | 1.68 | NA | NA | NA | NA | NA | 0.00 |
| 1774 | exec - my_page.h:73-74 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.07 | 0.04 | 0.04 | 0.16 | 0.16 | 0.08 | 0.08 | 96 | 0 | 47.22 | 1 | 1 | 1.4 | 1.84 | NA | NA | NA | NA | NA | 0.00 |
| 2769 | 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 | 1.27 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 11093 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.03 | 0.02 | 0.02 | 0.06 | 0.06 | 0.04 | 0.04 | 96 | 9.09 | 50 | 1.6 | 1.23 | 1.52 | 1.59 | NA | NA | NA | NA | NA | 0.00 |
| 8108 | exec - atom_vec.cpp:823-830 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Innermost | 0.05 | 0.02 | 0.02 | 0.11 | 0.11 | 0.04 | 0.04 | 79 | 7.14 | 51.79 | 2 | 1.2 | 1.66 | 2.41 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 22853 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.04 | 0.01 | 0.01 | 0.07 | 0.07 | 0.03 | 0.03 | 96 | 0 | 50 | 1 | 1 | 2 | 2.4 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 22852 | 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 | 0.02 | 0.02 | 96 | 0 | 50 | 1 | 1 | 2 | 2.39 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 1770 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.02 | 0.01 | 14.33 | 0.04 | 30.60 | 0.01 | 29.85 | 89 | 0 | 50 | 5 | 1 | 2 | 3.05 | NA | NA | NA | NA | NA | 0.00 |
| 1775 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.01 | 0.00 | 0.09 | 0.03 | 0.27 | 0.01 | 0.20 | 84 | NA | NA | 1 | NA | NA | 2.53 | NA | NA | NA | NA | NA | 0.00 |
| 5332 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 | 79 | 0 | 34.46 | 6.54 | 1 | 1.01 | 2.84 | NA | NA | NA | NA | NA | 0.00 |
| 18191 | 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 | 79 | 0 | 25 | 1 | 1 | 4 | 2.48 | 1 | 0 | 0 | 0 | 0 | 100.00 |
