| 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 | 45.53 | 45.06 | 45.06 | 20.39 | 20.39 | 19.97 | 19.97 | 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 | 27.83 | 27.80 | 27.80 | 12.46 | 12.46 | 12.32 | 12.32 | 96 | 10.64 | 51.68 | 2.28 | 1.59 | 1.19 | 1.01 | 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 | 11.71 | 11.31 | 14.17 | 5.24 | 6.47 | 5.01 | 6.28 | 96 | 5.88 | 45.59 | 3.67 | 1.37 | 1.35 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 14524 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.86 | 2.70 | 2.70 | 1.28 | 1.28 | 1.20 | 1.20 | 96 | 5.03 | 44.51 | 1.23 | 1.14 | 1.65 | 1.07 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 1772 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 2.07 | 1.67 | 1.67 | 0.93 | 0.93 | 0.74 | 0.74 | 96 | 0 | 43.75 | 1 | 1 | 1.27 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 14528 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.89 | 1.64 | 1.64 | 0.84 | 0.84 | 0.73 | 0.73 | 96 | 6.25 | 50 | 1.37 | 1.17 | 1.6 | 1.16 | 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 | 1.44 | 1.18 | 1.18 | 0.65 | 0.65 | 0.52 | 0.52 | 96 | 0 | 25 | 1 | 1 | 4 | 1.23 | NA | NA | NA | NA | NA | 0.00 |
| 9180 | exec - comm_brick.cpp:841-915 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.70 | 0.62 | 0.62 | 0.31 | 0.31 | 0.27 | 0.27 | 96 | 0 | 35.29 | 14 | 1 | 3.61 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 2757 | exec - pair.cpp:1057-1125 [...] | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.58 | 0.43 | 0.43 | 0.26 | 0.26 | 0.19 | 0.19 | 96 | 58.62 | 72.41 | 2.14 | 1 | 1.08 | 1.35 | NA | NA | NA | NA | NA | 0.00 |
| 22896 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.65 | 0.42 | 0.42 | 0.29 | 0.29 | 0.19 | 0.19 | 96 | 8.33 | 49.31 | 1.79 | 1.3 | 1.41 | 1.54 | 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 | 0.52 | 0.36 | 0.36 | 0.23 | 0.23 | 0.16 | 0.16 | 96 | NA | NA | NA | NA | NA | 1.49 | NA | NA | NA | NA | NA | 0.00 |
| 22897 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.49 | 0.35 | 45.41 | 0.22 | 20.49 | 0.16 | 20.13 | 96 | 9.09 | 52.27 | 5.75 | 1 | 1.61 | 1.41 | NA | NA | NA | NA | NA | 0.00 |
| 1450 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.39 | 0.29 | 0.29 | 0.17 | 0.17 | 0.13 | 0.13 | 96 | 18.18 | 59.09 | 1.5 | 1.5 | 1.2 | 1.36 | 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 | 0.40 | 0.27 | 0.27 | 0.18 | 0.18 | 0.12 | 0.12 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.52 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8008 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.42 | 0.24 | 0.24 | 0.19 | 0.19 | 0.11 | 0.11 | 96 | 9.09 | 54.55 | 1.25 | 1.18 | 1.54 | 1.76 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 9130 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.32 | 0.24 | 0.24 | 0.14 | 0.14 | 0.11 | 0.11 | 96 | 0 | 37.34 | 2.22 | 1 | 2.85 | 1.35 | 2 | 0 | 0 | 3.67 | 0 | 63.39 |
| 22895 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.37 | 0.21 | 28.01 | 0.16 | 12.53 | 0.09 | 12.41 | 96 | 11.9 | 52.38 | 4.5 | 1 | 1.57 | 1.78 | NA | NA | NA | NA | NA | 50.00 |
| 1615 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.26 | 0.20 | 0.20 | 0.12 | 0.12 | 0.09 | 0.09 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.29 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 18188 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.16 | 0.10 | 0.10 | 0.07 | 0.07 | 0.05 | 0.05 | 96 | 0 | 29.76 | 1 | 1 | 4 | 1.51 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 11695 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.15 | 0.10 | 0.10 | 0.06 | 0.06 | 0.05 | 0.05 | 96 | 3.1 | 44.19 | 1.67 | 1.15 | 1.74 | 1.42 | NA | NA | NA | NA | NA | 0.00 |
| 2769 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.09 | 0.07 | 0.07 | 0.04 | 0.04 | 0.03 | 0.03 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1.23 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 8109 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.13 | 0.07 | 0.07 | 0.06 | 0.06 | 0.03 | 0.03 | 96 | 0 | 50 | 2.22 | 1 | 1.76 | 2 | 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 | 0.15 | 0.06 | 0.07 | 0.06 | 0.06 | 0.03 | 0.03 | 95 | 0 | 50 | 1.5 | 1 | 2 | 2.25 | 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 | 0.21 | 0.06 | 0.06 | 0.09 | 0.09 | 0.03 | 0.03 | 79 | 0 | 50 | 1.33 | 1.14 | 2 | 2.91 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 22855 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.15 | 0.06 | 0.06 | 0.07 | 0.07 | 0.03 | 0.03 | 94 | 0 | 47.22 | 1.33 | 1.07 | 2.29 | 2.51 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 11093 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.08 | 0.05 | 0.05 | 0.04 | 0.04 | 0.02 | 0.02 | 96 | 9.09 | 50 | 1.6 | 1.23 | 1.52 | 1.55 | NA | NA | NA | NA | NA | 0.00 |
| 1776 | exec - my_page.h:51-91 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.11 | 0.05 | 0.10 | 0.05 | 0.08 | 0.02 | 0.04 | 93 | 2.86 | 35 | 9 | 1 | 1.8 | 2.15 | 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 | 0.12 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 93 | 0 | 47.22 | 1 | 1 | 1.4 | 2.56 | NA | NA | NA | NA | NA | 0.00 |
| 8091 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.12 | 0.05 | 0.05 | 0.06 | 0.06 | 0.02 | 0.02 | 94 | 0 | 45 | 2 | 1 | 1.85 | 2.67 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 18167 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.09 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.02 | 96 | 0 | 41.96 | 1.98 | 1.26 | 2.7 | 2.05 | 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 | 0.08 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.01 | 57 | 7.14 | 51.79 | 2 | 1.2 | 1.66 | 2.54 | 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 | 0.02 | 0.02 | 0.01 | 0.01 | 67 | 0 | 50 | 1 | 1 | 2 | 2.25 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 11367 | exec - create_atoms.cpp:1467-1514 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.04 | 0.01 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 75 | 0 | 48.91 | 1.64 | 1 | 2 | 2.59 | NA | NA | NA | NA | NA | 0.00 |
| 5299 | exec - velocity.cpp:757-761 | LAMMPS_NS::Velocity::zero_momentum() | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 91 | 7.69 | 50 | 1.25 | 1.11 | 1.74 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 22852 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Innermost | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 63 | 0 | 50 | 1 | 1 | 2 | 2.8 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7763 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 61 | 3.57 | 36.61 | 4.38 | 1.25 | 2.03 | 1.53 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 5293 | exec - velocity.cpp:726-730 | LAMMPS_NS::Velocity::rescale(double, double) | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 58 | 22.22 | 55.56 | 1.5 | 1.33 | 1.41 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1770 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.03 | 0.01 | 14.53 | 0.01 | 6.55 | 0.00 | 6.44 | 43 | 0 | 50 | 5 | 1 | 2 | 2.39 | NA | NA | NA | NA | NA | 0.00 |
| 18191 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 35 | 0 | 25 | 1 | 1 | 4 | 1.63 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 19086 | exec - random_park.cpp:108-111 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.03 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 37 | 0 | 20.16 | 1 | 1 | 4.57 | 2.71 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 1775 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.02 | 0.00 | 0.10 | 0.01 | 0.09 | 0.00 | 0.05 | 34 | NA | NA | 1 | NA | NA | 1.7 | NA | NA | NA | NA | NA | 0.00 |
| 16176 | exec - group.cpp:1183-1188 | LAMMPS_NS::Group::vcm(int, double, double*) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 35 | 25.53 | 59.04 | 1.38 | 1.36 | 1.34 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7767 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.03 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 29 | 0 | 31.25 | 1 | 1 | 3.69 | 2.49 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 16146 | exec - group.cpp:875-876 | LAMMPS_NS::Group::mass(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 33 | 0 | 44.51 | 1.67 | 1.23 | 2.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5332 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 25 | 0 | 34.46 | 6.54 | 1 | 1.01 | 1.72 | NA | NA | NA | NA | NA | 0.00 |
| 16138 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 28 | 0 | 27.27 | 1 | 1 | 3.71 | 1.93 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 1362 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 21 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 1631 | exec - neighbor.cpp:3045-3046 | LAMMPS_NS::Neighbor::get_nneigh_half() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 20 | 0 | 36.54 | 1 | 1 | 3.27 | 1 | 0 | 0 | 2 | 1 | 1 | 50.00 |
| 4768 | exec - variable.cpp:917-919 | LAMMPS_NS::Variable::set_arrays(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 0 | 34.21 | 1 | 1 | 3.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 22898 | exec - pair_eam.cpp:149-342 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.02 | 0.00 | 73.84 | 0.01 | 33.13 | 0.00 | 32.73 | 14 | 11.11 | 49.31 | 4.87 | 1 | 1.4 | 1.75 | NA | NA | NA | NA | NA | 0.00 |
| 7769 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 14 | 0 | 37.5 | 1 | 1 | 3.33 | 1 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 11368 | exec - create_atoms.cpp:1467-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.02 | 0.01 | 0.03 | 0.00 | 0.01 | 14 | 0 | 30 | 1 | 1 | 3.75 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 11370 | exec - create_atoms.cpp:1470-1503 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 10.34 | 49.14 | 2.21 | 1.29 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8380 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 8382 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 5311 | exec - velocity.cpp:332-349 | LAMMPS_NS::Velocity::create(double, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 2.99 | 47.39 | 10.86 | 2 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 19087 | exec - random_park.cpp:126-126 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 0 | 50 | 1 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7766 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | InBetween | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 8 | 0 | 28.03 | 1 | 1 | 3.58 | 1 | NA | NA | NA | NA | NA | 60.00 |
| 8151 | exec - atom_vec.cpp:286-350 [...] | LAMMPS_NS::AtomVec::copy(int, int, int) | Outermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0 | 47.5 | 1 | 1 | 1.14 | 1.71 | NA | NA | NA | NA | NA | 0.00 |
| 9039 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0 | 33.33 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8378 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 1360 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0 | 28.13 | 1 | 1 | 3.64 | 1 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 9169 | exec - comm_brick.cpp:798-968 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.62 | 0.01 | 0.31 | 0.00 | 0.27 | 6 | 0.23 | 44.67 | 6.1 | 1 | 1.19 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 22854 | exec - pair_eam.cpp:972-980 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Outermost | 0.01 | 0.00 | 0.06 | 0.01 | 0.04 | 0.00 | 0.03 | 5 | 0 | 48.08 | 1.4 | 1.03 | 2.11 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 14526 | exec - fix_nve.cpp:122-146 | LAMMPS_NS::FixNVE::final_integrate() | Outermost | 0.02 | 0.00 | 1.64 | 0.01 | 0.77 | 0.00 | 0.73 | 4 | 6 | 51 | 1.41 | 1.2 | 1.52 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 462 | exec - stl_tree.h:1947-1949 [...] | std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::less<std::__cxx11::basic_string<cha... | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0 | 46.43 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7695 | exec - atom.cpp:945-945 | LAMMPS_NS::Atom::tag_extend() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 1 | 1 | 0 | 75.00 |
| 9129 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0 | 45.14 | 1 | 1 | 2.05 | 1 | 1.5 | 0 | 0 | 1.5 | 0.5 | 62.50 |
| 22850 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0 | 50 | 1.48 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7765 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 8248 | exec - atom_vec.cpp:1616-1652 [...] | LAMMPS_NS::AtomVec::create_atom(int, double*) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0 | 40.91 | 1 | 1 | 1.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1614 | exec - neighbor.cpp:2513-2515 | LAMMPS_NS::Neighbor::build(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0 | 41.67 | 1 | 1 | 3.27 | 1 | 1 | 0 | 0 | 4 | 2 | 42.86 |
| 9128 | exec - comm_brick.cpp:698-762 [...] | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.24 | 0.01 | 0.12 | 0.00 | 0.11 | 2 | 0 | 35.53 | 12.6 | 1 | 3.32 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7770 | exec - atom.cpp:2408-2408 | LAMMPS_NS::Atom::sort() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 202 | exec - char_traits.h:368-368 [...] | bool std::operator==<char, std::char_traits<char>, std::allocator<char> >(std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const&, char const*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 68.75 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8127 | exec - atom_vec.cpp:360-440 [...] | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Outermost | 0.01 | 0.00 | 0.06 | 0.01 | 0.03 | 0.00 | 0.03 | 2 | 1.52 | 49.62 | 1.94 | 1.26 | 1.47 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9042 | exec - comm_brick.cpp:612-641 | LAMMPS_NS::CommBrick::reverse_comm() | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 46.15 | 1 | 1 | 1.31 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7768 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 31.25 | 1 | 1 | 3.69 | 1 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 1701 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 22900 | exec - pair_eam.cpp:149-342 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.01 | 0.00 | 73.84 | 0.00 | 32.95 | 0.00 | 32.73 | 2 | 0 | 48.21 | 1 | 1 | 1.22 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1611 | exec - neighbor.cpp:2512-2544 [...] | LAMMPS_NS::Neighbor::build(int) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 45.97 | 1 | 1 | 1.19 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1228 | exec - modify.cpp:481-481 | LAMMPS_NS::Modify::final_integrate() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 37.5 | 1 | 1 | 2.6 | 1 | 1 | 0 | 0 | 2 | 1 | 50.00 |
| 7693 | exec - atom.cpp:958-958 | LAMMPS_NS::Atom::tag_extend() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 33.33 | 1 | 1 | 3.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1449 | exec - neighbor.cpp:2409-2442 | LAMMPS_NS::Neighbor::check_distance() | Outermost | 0.01 | 0.00 | 0.29 | 0.01 | 0.11 | 0.00 | 0.13 | 2 | 8 | 53.57 | 1.66 | 1.49 | 1.58 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9062 | exec - comm_brick.cpp:1003-1023 [...] | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 31.82 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1209 | exec - modify.cpp:401-402 | LAMMPS_NS::Modify::initial_integrate(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 37.5 | 1 | 1 | 2.6 | 1 | 1 | 0 | 0 | 2 | 1 | 50.00 |
| 4314 | exec - timer.cpp:57-93 | LAMMPS_NS::Timer::_stamp(LAMMPS_NS::Timer::ttype) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 32.43 | 64.86 | 1.29 | 1 | 1.35 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 22904 | exec - pair_eam.cpp:871-876 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 50 | 75 | 1.19 | 1 | 1.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7712 | exec - atom.cpp:1923-1924 | LAMMPS_NS::Atom::data_fix_compute_variable(int, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 16 | 0 | 52.94 |
| 1216 | exec - modify.cpp:317-317 | LAMMPS_NS::Modify::setup(int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1 | 2 | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
| 7764 | exec - memory.h:55-55 [...] | LAMMPS_NS::Atom::sort() | Outermost | 0.01 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 1 | 6.9 | 55.17 | 5.7 | 1 | 1.41 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 14525 | exec - fix_nve.cpp:98-109 | LAMMPS_NS::FixNVE::initial_integrate(int) | Outermost | 0.01 | 0.00 | 2.70 | 0.01 | 1.20 | 0.00 | 1.20 | 1 | 6.9 | 51.72 | 1.25 | 1.14 | 1.61 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1432 | exec - stl_tree.h:1947-1949 [...] | std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, LAMMPS_NS::Fix* (*)(LA... | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 46.43 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 12659 | exec - finish.cpp:581-596 [...] | LAMMPS_NS::Finish::stats(int, double*, double*, double*, double*, int, int*) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 1.25 | 38.75 | 4.22 | 1.39 | 1.44 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8054 | exec - atom_vec.cpp:1270-1337 [...] | LAMMPS_NS::AtomVec::unpack_exchange(double*) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 40.91 | 1 | 1 | 1.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1364 | exec - modify.cpp:194-196 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1 | 2 | 1 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 22873 | exec - pair_eam.cpp:757-786 | LAMMPS_NS::PairEAM::file2array() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 3.13 | 48.05 | 3.29 | 1.8 | 2 | 1 | 3 | 0 | 0 | 2 | 2 | 57.14 |
| 358 | exec - stl_tree.h:778-1932 [...] | std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::__cxx11::basic_st... | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1 | 2 | 1 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 5328 | exec - verlet.cpp:406-421 [...] | LAMMPS_NS::Verlet::force_clear() [clone .part.0] | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 41.07 | 1 | 1 | 1.15 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1616 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 204 | exec - stl_tree.h:1947-1949 [...] | std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, LAMMPS_NS::Command* (*)(LAMMPS_NS::LAMMPS*), std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<cha... | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 46.43 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 2803 | exec - basic_string.h:194-2253 [...] | LAMMPS_NS::Pair::init() | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 27.85 | 58.07 | 3.81 | 1 | 1.23 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9056 | exec - comm_brick.cpp:1045-1065 | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 40.63 | 1 | 1 | 3.66 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9066 | exec - comm_brick.cpp:1003-1023 | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 33.33 | 1 | 1 | 3.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 7691 | exec - atom.cpp:912-914 | LAMMPS_NS::Atom::tag_check() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 2 | 1 | 0 | 75.00 |
| 9044 | exec - comm_brick.cpp:614-621 | LAMMPS_NS::CommBrick::reverse_comm() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 35.71 | 1 | 1 | 3.64 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1613 | exec - neighbor.cpp:2522-2527 | LAMMPS_NS::Neighbor::build(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 30.1 | 1 | 1 | 3.75 | 1 | 1 | 0 | 0 | 3 | 4 | 31.25 |
| 8149 | exec - atom_vec.cpp:387-440 [...] | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 67.86 | 1 | 1 | 1.19 | 1 | NA | NA | NA | NA | NA | 0.00 |
