| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_4 (%) | Exclusive Coverage gcc_4 (%) | Inclusive Coverage gcc_4 (%) | Max Exclusive Time Over Threads gcc_4 (s) | Max Inclusive Time Over Threads gcc_4 (s) | Exclusive Time w.r.t. Wall Time gcc_4 (s) | Inclusive Time w.r.t. Wall Time gcc_4 (s) | Nb Threads gcc_4 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_4 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 25328 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 41.70 | 41.44 | 41.44 | 18.41 | 18.41 | 18.09 | 18.09 | 96 | 12.82 | 55.77 | 2.52 | 1.58 | 1.18 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 25332 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.49 | 28.45 | 28.45 | 12.57 | 12.57 | 12.42 | 12.42 | 96 | 10.18 | 50.61 | 2.28 | 1.55 | 1.24 | 1.02 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1894 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 12.00 | 11.46 | 14.49 | 5.30 | 6.49 | 5.00 | 6.32 | 96 | 6.25 | 46.88 | 3.67 | 1.37 | 1.35 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 16026 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.82 | 2.75 | 2.75 | 1.25 | 1.25 | 1.20 | 1.20 | 96 | 5.03 | 44.51 | 1.23 | 1.14 | 1.65 | 1.04 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 25331 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 2.95 | 2.64 | 2.64 | 1.30 | 1.30 | 1.15 | 1.15 | 96 | 12.2 | 54.88 | 2.52 | 1.53 | 1.2 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 16030 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.85 | 1.69 | 1.69 | 0.81 | 0.81 | 0.74 | 0.74 | 96 | 6.25 | 50 | 1.37 | 1.17 | 1.6 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 1895 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.91 | 1.63 | 1.63 | 0.85 | 0.85 | 0.71 | 0.71 | 96 | 0 | 43.75 | 1 | 1 | 1.27 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 1892 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.57 | 1.32 | 1.40 | 0.69 | 0.74 | 0.58 | 0.61 | 96 | 0 | 48.86 | 1 | 1 | 1.71 | 1.21 | NA | NA | NA | NA | NA | 0.00 |
| 10089 | exec - comm_brick.cpp:841-1542 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.70 | 0.62 | 0.62 | 0.31 | 0.31 | 0.27 | 0.27 | 96 | 0 | 43.42 | 13.58 | 1.53 | 1.23 | 1.14 | NA | NA | NA | NA | NA | 0.00 |
| 25325 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.46 | 0.36 | 0.36 | 0.21 | 0.21 | 0.16 | 0.16 | 96 | 6.9 | 47.41 | 1.75 | 1.45 | 1.24 | 1.29 | 2 | 0 | 0 | 4 | 7 | 30.77 |
| 1896 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.49 | 0.32 | 0.32 | 0.22 | 0.22 | 0.14 | 0.14 | 96 | NA | NA | NA | NA | NA | 1.56 | NA | NA | NA | NA | NA | 0.00 |
| 1544 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.42 | 0.31 | 0.31 | 0.19 | 0.19 | 0.13 | 0.13 | 96 | 18.18 | 59.09 | 1.5 | 1.5 | 1.2 | 1.39 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 25326 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.43 | 0.29 | 41.74 | 0.19 | 18.48 | 0.13 | 18.22 | 96 | 10 | 55 | 3.5 | 1 | 1.53 | 1.48 | NA | NA | NA | NA | NA | 0.00 |
| 8627 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.34 | 0.24 | 0.24 | 0.15 | 0.15 | 0.11 | 0.11 | 96 | 9.09 | 54.55 | 1.25 | 1.18 | 1.54 | 1.41 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8806 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.40 | 0.23 | 0.23 | 0.18 | 0.18 | 0.10 | 0.10 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.72 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 10024 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.28 | 0.23 | 0.23 | 0.13 | 0.13 | 0.10 | 0.10 | 96 | 0 | 43.75 | 2 | 1 | 2 | 1.24 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 25324 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.33 | 0.21 | 28.66 | 0.14 | 12.63 | 0.09 | 12.51 | 96 | 12.5 | 52.08 | 3.5 | 1 | 1.46 | 1.56 | NA | NA | NA | NA | NA | 50.00 |
| 1727 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.24 | 0.21 | 0.21 | 0.11 | 0.11 | 0.09 | 0.09 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.17 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 20012 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.19 | 0.12 | 0.12 | 0.08 | 0.08 | 0.05 | 0.05 | 96 | 0 | 29.76 | 1 | 1 | 4 | 1.68 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 12975 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.16 | 0.12 | 0.12 | 0.07 | 0.07 | 0.05 | 0.05 | 96 | 3.1 | 44.19 | 1.67 | 1.15 | 1.74 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
| 1897 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.18 | 0.08 | 0.08 | 0.08 | 0.08 | 0.03 | 0.03 | 95 | 9.46 | 43.92 | 7.53 | 1 | 1.62 | 2.35 | NA | NA | NA | NA | NA | 0.00 |
| 2982 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.09 | 0.08 | 0.08 | 0.04 | 0.04 | 0.03 | 0.03 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1.22 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 8765 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.12 | 0.08 | 0.08 | 0.05 | 0.05 | 0.03 | 0.03 | 96 | 0 | 50 | 2.22 | 1 | 1.76 | 1.68 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 25277 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Outermost | 0.14 | 0.07 | 0.07 | 0.06 | 0.06 | 0.03 | 0.03 | 96 | 0 | 50 | 1.5 | 1 | 2 | 1.95 | NA | NA | NA | NA | NA | 0.00 |
| 8782 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.23 | 0.07 | 0.07 | 0.10 | 0.10 | 0.03 | 0.03 | 80 | 0 | 50 | 1.33 | 1.14 | 2 | 2.88 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 25283 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.11 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 96 | 0 | 47.22 | 1.33 | 1.07 | 2.29 | 2.23 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 2969 | exec - pair.cpp:1119-1125 | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.12 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 94 | NA | NA | NA | NA | NA | 2.52 | NA | NA | NA | NA | NA | 0.00 |
| 8747 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.15 | 0.05 | 0.05 | 0.06 | 0.06 | 0.02 | 0.02 | 93 | 0 | 45 | 2 | 1 | 1.85 | 3.13 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 12335 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.07 | 0.05 | 0.05 | 0.03 | 0.03 | 0.02 | 0.02 | 96 | 9.09 | 50 | 1.6 | 1.23 | 1.52 | 1.51 | NA | NA | NA | NA | NA | 0.00 |
| 19990 | 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 | 94 | 0 | 41.96 | 1.98 | 1.26 | 2.7 | 2.07 | NA | NA | NA | NA | NA | 0.00 |
| 25330 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.10 | 0.03 | 2.67 | 0.04 | 1.30 | 0.01 | 1.17 | 91 | 9.09 | 52.27 | 4.75 | 1 | 1.64 | 2.9 | NA | NA | NA | NA | NA | 0.00 |
| 8764 | exec - atom_vec.cpp:823-830 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Innermost | 0.10 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 68 | 7.14 | 51.79 | 2 | 1.2 | 1.66 | 3.56 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 25329 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.05 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 86 | 8.82 | 50.74 | 1.59 | 1.31 | 1.35 | 2.11 | NA | NA | NA | NA | NA | 0.00 |
| 8392 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 90 | 3.57 | 36.61 | 4.38 | 1.25 | 2.03 | 1.2 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 25281 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.07 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 62 | 0 | 50 | 1 | 1 | 2 | 3.35 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 5780 | exec - velocity.cpp:726-730 | LAMMPS_NS::Velocity::rescale(double, double) | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 96 | 22.22 | 55.56 | 1.5 | 1.33 | 1.41 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 12616 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.05 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 60 | 4.26 | 44.15 | 2.63 | 1.37 | 1 | 2.67 | NA | NA | NA | NA | NA | 0.00 |
| 25280 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Innermost | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 61 | 0 | 50 | 1 | 1 | 2 | 2.08 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 17862 | exec - group.cpp:1183-1188 | LAMMPS_NS::Group::vcm(int, double, double*) | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 83 | 25.53 | 59.04 | 1.38 | 1.36 | 1.34 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5786 | 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 | 80 | 7.69 | 50 | 1.25 | 1.11 | 1.74 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1893 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.03 | 0.01 | 14.81 | 0.01 | 6.62 | 0.00 | 6.47 | 41 | 0 | 50 | 5 | 1 | 2 | 2.51 | NA | NA | NA | NA | NA | 0.00 |
| 8396 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.03 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 30 | 0 | 31.25 | 1 | 1 | 3.71 | 2.5 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 20992 | exec - random_park.cpp:108-111 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 29 | 0 | 20.16 | 1 | 1 | 4.53 | 1.61 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 20015 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.03 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 27 | 0 | 25 | 1 | 1 | 4 | 2.38 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 5830 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 27 | 0 | 31.25 | 7.02 | 1 | 3.97 | 1.74 | NA | NA | NA | NA | NA | 0.00 |
| 5099 | 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 | 19 | 0 | 34.21 | 1 | 1 | 3.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 25327 | exec - memory.h:53-96 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.01 | 0.00 | 73.46 | 0.01 | 32.39 | 0.00 | 32.06 | 16 | 22.33 | 55.7 | 5.06 | 1.64 | 1.15 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9932 | 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 | 16 | 0 | 37.5 | 1 | 1 | 3.91 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8395 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | InBetween | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 15 | 0 | 27.78 | 1 | 1 | 3.58 | 1 | NA | NA | NA | NA | NA | 60.00 |
| 9013 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 13 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 1495 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0 | 28.13 | 1 | 1 | 3.64 | 1 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 8807 | exec - atom_vec.cpp:286-350 [...] | LAMMPS_NS::AtomVec::copy(int, int, int) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0 | 43.75 | 1 | 1 | 1.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5799 | exec - velocity.cpp:332-350 | LAMMPS_NS::Velocity::create(double, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 3.13 | 46.88 | 6.21 | 1.64 | 1.26 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8398 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 10 | 0 | 37.5 | 1 | 1 | 3.33 | 1 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 17830 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 0 | 27.27 | 1 | 1 | 3.71 | 1 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 10026 | exec - comm_brick.cpp:698-1532 [...] | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.23 | 0.01 | 0.13 | 0.00 | 0.10 | 9 | 0 | 40.15 | 1 | 1.3 | 1.43 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9011 | 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 | 9 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 9940 | 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 | 6 | 0 | 40.63 | 1 | 1 | 3.66 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8397 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0 | 37.5 | 1 | 1 | 1.96 | 1 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 1497 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0 | 25 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1743 | 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 | 6 | 0 | 36.54 | 1 | 1 | 3.27 | 1 | 0 | 0 | 2 | 1 | 1 | 50.00 |
| 10029 | 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 | 5 | 0 | 47.22 | 1 | 1 | 1.84 | 1 | 1 | 0 | 0 | 1.5 | 0.5 | 50.00 |
| 25282 | exec - pair_eam.cpp:972-980 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Outermost | 0.01 | 0.00 | 0.05 | 0.01 | 0.03 | 0.00 | 0.02 | 5 | 0 | 48.08 | 1.4 | 1.03 | 2.11 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1264 | exec - modify.cpp:401-403 | LAMMPS_NS::Modify::initial_integrate(int) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0 | 50 | 1 | 1 | 2 | 1 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
| 8394 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 8342 | exec - atom.cpp:1923-1924 | LAMMPS_NS::Atom::data_fix_compute_variable(int, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 16 | 0 | 52.94 |
| 8696 | exec - atom_vec.cpp:1616-1652 [...] | LAMMPS_NS::AtomVec::create_atom(int, double*) | Outermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 50 | 1 | 1 | 1.31 | 1.33 | NA | NA | NA | NA | NA | 0.00 |
| 10078 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.63 | 0.00 | 0.29 | 0.00 | 0.27 | 3 | 0 | 45.86 | 14.96 | 1.63 | 1.17 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1811 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 9015 | 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 | 3 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 16028 | exec - fix_nve.cpp:122-146 | LAMMPS_NS::FixNVE::final_integrate() | Outermost | 0.01 | 0.00 | 1.69 | 0.01 | 0.76 | 0.00 | 0.74 | 3 | 6 | 51 | 1.41 | 1.2 | 1.52 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 25278 | 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 | 3 | 0 | 50 | 1.48 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9947 | exec - comm_brick.cpp:1003-1023 [...] | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0 | 31.82 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1728 | 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 | 2 | 0 | 57.14 | 1 | 1 | 1.5 | 1 | 0 | 0 | 1 | 1 | 0 | 62.50 |
| 1250 | exec - modify.cpp:481-482 | LAMMPS_NS::Modify::final_integrate() | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 50 | 1 | 1 | 2 | 1 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
| 9937 | exec - comm_brick.cpp:614-621 | LAMMPS_NS::CommBrick::reverse_comm() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 35.71 | 1 | 1 | 3.64 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8737 | exec - atom_vec.cpp:1045-1085 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 57.81 | 1 | 1 | 1.23 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8320 | 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 | 2 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 1 | 1 | 0 | 75.00 |
| 1725 | exec - neighbor.cpp:2522-2527 | LAMMPS_NS::Neighbor::build(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 30.1 | 1 | 1 | 3.75 | 1 | 1 | 0 | 0 | 3 | 4 | 31.25 |
| 16027 | exec - fix_nve.cpp:98-109 | LAMMPS_NS::FixNVE::initial_integrate(int) | Outermost | 0.01 | 0.00 | 2.75 | 0.00 | 1.24 | 0.00 | 1.20 | 2 | 6.9 | 51.72 | 1.25 | 1.14 | 1.61 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1249 | exec - modify.cpp:481-482 | LAMMPS_NS::Modify::final_integrate() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 75 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1263 | exec - modify.cpp:401-403 | LAMMPS_NS::Modify::initial_integrate(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 75 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1543 | exec - neighbor.cpp:2409-2442 | LAMMPS_NS::Neighbor::check_distance() | Outermost | 0.01 | 0.00 | 0.31 | 0.00 | 0.14 | 0.00 | 0.13 | 1 | 8 | 53.57 | 1.66 | 1.49 | 1.59 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10023 | exec - comm_brick.cpp:698-1532 [...] | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 36.57 | 14.1 | 1.33 | 3.19 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1726 | exec - neighbor.cpp:2513-2515 | LAMMPS_NS::Neighbor::build(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 41.67 | 1 | 1 | 3.27 | 1 | 1 | 0 | 0 | 4 | 2 | 42.86 |
| 4589 | exec - timer.cpp:57-93 | LAMMPS_NS::Timer::_stamp(LAMMPS_NS::Timer::ttype) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 21.62 | 59.46 | 1.29 | 1.33 | 1.35 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5837 | exec - verlet.cpp:140-162 | LAMMPS_NS::Verlet::setup(int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 48.9 | 1 | 1 | 1.93 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5100 | exec - variable.cpp:917-920 | LAMMPS_NS::Variable::set_arrays(int) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | NA | NA | 1 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9935 | exec - comm_brick.cpp:612-641 | LAMMPS_NS::CommBrick::reverse_comm() | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 46.15 | 1 | 1 | 1.31 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9939 | exec - comm_brick.cpp:612-634 [...] | LAMMPS_NS::CommBrick::reverse_comm() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 36.11 | 1 | 1 | 3.25 | 1 | 0 | 0 | 0 | 3 | 1 | 37.50 |
| 222 | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 68.75 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8783 | exec - atom_vec.cpp:360-440 [...] | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Outermost | 0.01 | 0.00 | 0.07 | 0.00 | 0.04 | 0.00 | 0.03 | 1 | 1.52 | 49.62 | 1.94 | 1.26 | 1.47 | 1 | NA | NA | NA | NA | NA | 0.00 |
