| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_6 (%) | Exclusive Coverage gcc_6 (%) | Inclusive Coverage gcc_6 (%) | Max Exclusive Time Over Threads gcc_6 (s) | Max Inclusive Time Over Threads gcc_6 (s) | Exclusive Time w.r.t. Wall Time gcc_6 (s) | Inclusive Time w.r.t. Wall Time gcc_6 (s) | Nb Threads gcc_6 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_6 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 22881 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 47.70 | 47.46 | 47.46 | 210.20 | 210.20 | 208.16 | 208.16 | 64 | 12.05 | 26.51 | 2.67 | 1.57 | 4.57 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 22882 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.82 | 28.64 | 28.64 | 127.00 | 127.00 | 125.61 | 125.61 | 64 | 9.98 | 25.06 | 2.28 | 1.62 | 4.05 | 1.01 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1770 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 10.92 | 10.77 | 13.66 | 48.14 | 60.75 | 47.23 | 59.89 | 64 | 5.88 | 22.79 | 3.67 | 1.52 | 5.03 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 14515 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.24 | 2.21 | 2.21 | 9.88 | 9.88 | 9.70 | 9.70 | 64 | 5.03 | 22.25 | 1.23 | 1.15 | 4.21 | 1.02 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 1771 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.89 | 1.80 | 1.80 | 8.35 | 8.35 | 7.90 | 7.90 | 64 | 0 | 26.04 | 1 | 1 | 1.27 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 14519 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.41 | 1.36 | 1.36 | 6.20 | 6.20 | 5.96 | 5.96 | 64 | 6.25 | 25 | 1.37 | 1.19 | 2.67 | 1.04 | NA | NA | NA | NA | NA | 0.00 |
| 1768 | exec - npair_bin.cpp:112-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.19 | 1.09 | 1.09 | 5.27 | 5.27 | 4.76 | 4.76 | 64 | 0 | 12.5 | 1 | 1 | 8 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 22877 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.87 | 0.81 | 48.27 | 3.85 | 213.73 | 3.55 | 211.70 | 64 | 11.11 | 20.83 | 5.75 | 1 | 5.58 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 22875 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.57 | 0.51 | 29.15 | 2.50 | 129.15 | 2.26 | 127.87 | 64 | 11.07 | 33.48 | 4.5 | 1 | 2.2 | 1.11 | NA | NA | NA | NA | NA | 50.00 |
| 1772 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.54 | 0.48 | 0.48 | 2.38 | 2.38 | 2.11 | 2.11 | 64 | NA | NA | NA | NA | NA | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 9179 | exec - comm_brick.cpp:841-915 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.50 | 0.48 | 0.48 | 2.19 | 2.19 | 2.09 | 2.09 | 64 | 0 | 17.65 | 14 | 1 | 7.23 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 22876 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.39 | 0.34 | 0.34 | 1.71 | 1.71 | 1.48 | 1.48 | 64 | 8.33 | 24.65 | 1.79 | 1.35 | 4.47 | 1.16 | NA | NA | NA | NA | NA | 0.00 |
| 8009 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.25 | 0.21 | 0.21 | 1.09 | 1.09 | 0.92 | 0.92 | 64 | 9.09 | 27.27 | 1.25 | 1.18 | 3.64 | 1.19 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1450 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.22 | 0.20 | 0.20 | 0.97 | 0.97 | 0.88 | 0.88 | 64 | 18.18 | 29.55 | 1.5 | 1.33 | 3 | 1.11 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 9129 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.21 | 0.19 | 0.19 | 0.91 | 0.91 | 0.84 | 0.84 | 64 | 0 | 18.67 | 2.27 | 1 | 5.79 | 1.1 | 2 | 0 | 0 | 3.67 | 0 | 63.39 |
| 2756 | exec - pair.cpp:1057-1125 [...] | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.22 | 0.19 | 0.19 | 0.97 | 0.97 | 0.83 | 0.83 | 64 | 58.62 | 43.1 | 2.14 | 1.42 | 1.35 | 1.17 | NA | NA | NA | NA | NA | 0.00 |
| 8151 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.25 | 0.17 | 0.17 | 1.12 | 1.12 | 0.75 | 0.75 | 64 | 0 | 25 | 1.33 | 1 | 4 | 1.49 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1615 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.17 | 0.16 | 0.16 | 0.74 | 0.74 | 0.69 | 0.69 | 64 | 0 | 25 | 1.33 | 1 | 4 | 1.08 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 18166 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.12 | 0.10 | 0.10 | 0.52 | 0.52 | 0.44 | 0.44 | 64 | 0 | 14.88 | 1 | 1 | 8 | 1.18 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 11684 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.08 | 0.08 | 0.08 | 0.36 | 0.36 | 0.33 | 0.33 | 64 | 3.1 | 22.09 | 1.67 | 1.19 | 4.8 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 22829 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Outermost | 0.09 | 0.07 | 0.07 | 0.41 | 0.43 | 0.29 | 0.29 | 64 | 0 | 25 | 1.5 | 1 | 4 | 1.43 | NA | NA | NA | NA | NA | 0.00 |
| 8127 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.14 | 0.06 | 0.06 | 0.62 | 0.62 | 0.27 | 0.27 | 56 | 0 | 25 | 1.33 | 1.23 | 4 | 2.01 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8110 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.09 | 0.06 | 0.06 | 0.40 | 0.40 | 0.24 | 0.24 | 64 | 0 | 25 | 2.22 | 1 | 4.43 | 1.63 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 1773 | exec - my_page.h:73-74 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.08 | 0.05 | 0.05 | 0.35 | 0.35 | 0.22 | 0.22 | 64 | 0 | 29.17 | 1 | 1 | 1.56 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 1775 | exec - my_page.h:51-91 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.06 | 0.05 | 0.10 | 0.27 | 0.53 | 0.21 | 0.43 | 64 | 2.86 | 17.5 | 9 | 1 | 5.84 | 1.27 | NA | NA | NA | NA | NA | 0.00 |
| 22835 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.06 | 0.05 | 0.05 | 0.28 | 0.28 | 0.20 | 0.20 | 64 | 0 | 23.61 | 1.33 | 1.1 | 4.57 | 1.41 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 8092 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.06 | 0.04 | 0.04 | 0.25 | 0.25 | 0.18 | 0.18 | 64 | 0 | 22.5 | 2 | 1 | 4.8 | 1.45 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 18146 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.05 | 0.04 | 0.04 | 0.23 | 0.23 | 0.16 | 0.16 | 64 | 0 | 20.98 | 2.4 | 1 | 4 | 1.51 | NA | NA | NA | NA | NA | 0.00 |
| 2768 | 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 | 1.08 | 4 | 1.1 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 8109 | exec - atom_vec.cpp:823-830 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Innermost | 0.05 | 0.02 | 0.02 | 0.20 | 0.20 | 0.08 | 0.08 | 56 | 7.14 | 25.89 | 2 | 1.14 | 4.17 | 2.26 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 11076 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.02 | 0.02 | 0.02 | 0.08 | 0.08 | 0.07 | 0.07 | 64 | 9.09 | 25 | 1.6 | 1.23 | 4.27 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 22833 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.02 | 0.01 | 0.01 | 0.08 | 0.08 | 0.04 | 0.04 | 64 | 0 | 25 | 1 | 1 | 4 | 1.79 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 1769 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.01 | 0.01 | 14.14 | 0.06 | 62.85 | 0.03 | 62.03 | 64 | 0 | 25 | 5 | 1 | 4 | 2.24 | NA | NA | NA | NA | NA | 0.00 |
| 22832 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Innermost | 0.01 | 0.01 | 0.01 | 0.05 | 0.05 | 0.03 | 0.03 | 64 | 0 | 25 | 1 | 1 | 4 | 2.13 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 1774 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.01 | 0.01 | 0.10 | 0.05 | 0.56 | 0.02 | 0.45 | 63 | NA | NA | 1 | NA | NA | 1.98 | NA | NA | NA | NA | NA | 0.00 |
