| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_3 (%) | Exclusive Coverage gcc_3 (%) | Inclusive Coverage gcc_3 (%) | Max Exclusive Time Over Threads gcc_3 (s) | Max Inclusive Time Over Threads gcc_3 (s) | Exclusive Time w.r.t. Wall Time gcc_3 (s) | Inclusive Time w.r.t. Wall Time gcc_3 (s) | Nb Threads gcc_3 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_3 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 26431 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 41.63 | 41.38 | 41.38 | 18.41 | 18.41 | 18.13 | 18.13 | 96 | 12.82 | 55.77 | 2.52 | 1.58 | 1.18 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 26435 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.49 | 28.49 | 28.49 | 12.60 | 12.60 | 12.48 | 12.48 | 96 | 10.18 | 50.61 | 2.28 | 1.55 | 1.24 | 1.01 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1916 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 11.81 | 11.38 | 14.41 | 5.23 | 6.47 | 4.99 | 6.31 | 96 | 6.25 | 46.88 | 3.67 | 1.37 | 1.35 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 16537 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.79 | 2.72 | 2.72 | 1.23 | 1.23 | 1.19 | 1.19 | 96 | 5.03 | 44.51 | 1.23 | 1.14 | 1.65 | 1.04 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 26434 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 2.98 | 2.66 | 2.66 | 1.32 | 1.32 | 1.17 | 1.17 | 96 | 12.2 | 54.88 | 2.52 | 1.53 | 1.2 | 1.14 | NA | NA | NA | NA | NA | 0.00 |
| 16541 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.82 | 1.68 | 1.68 | 0.81 | 0.81 | 0.74 | 0.74 | 96 | 6.25 | 50 | 1.37 | 1.17 | 1.6 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 1917 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.93 | 1.63 | 1.63 | 0.86 | 0.86 | 0.72 | 0.72 | 96 | 0 | 43.75 | 1 | 1 | 1.27 | 1.2 | NA | NA | NA | NA | NA | 0.00 |
| 1914 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.66 | 1.32 | 1.40 | 0.74 | 0.76 | 0.58 | 0.61 | 96 | 0 | 48.86 | 1 | 1 | 1.71 | 1.28 | NA | NA | NA | NA | NA | 0.00 |
| 10334 | 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 |
| 26428 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.46 | 0.35 | 0.35 | 0.21 | 0.21 | 0.15 | 0.15 | 96 | 6.9 | 47.41 | 1.75 | 1.45 | 1.24 | 1.35 | 2 | 0 | 0 | 4 | 7 | 30.77 |
| 1918 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.45 | 0.31 | 0.31 | 0.20 | 0.20 | 0.13 | 0.13 | 96 | NA | NA | NA | NA | NA | 1.5 | NA | NA | NA | NA | NA | 0.00 |
| 26429 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.40 | 0.30 | 41.68 | 0.17 | 18.52 | 0.13 | 18.26 | 96 | 10 | 55 | 3.5 | 1 | 1.53 | 1.35 | NA | NA | NA | NA | NA | 0.00 |
| 1571 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.36 | 0.30 | 0.30 | 0.16 | 0.16 | 0.13 | 0.13 | 96 | 18.18 | 59.09 | 1.5 | 1.5 | 1.2 | 1.24 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 8781 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.34 | 0.25 | 0.25 | 0.15 | 0.15 | 0.11 | 0.11 | 96 | 9.09 | 54.55 | 1.25 | 1.18 | 1.54 | 1.36 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 10262 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.31 | 0.25 | 0.25 | 0.14 | 0.14 | 0.11 | 0.11 | 96 | 0 | 43.75 | 2 | 1 | 2 | 1.25 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 8990 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.42 | 0.24 | 0.24 | 0.18 | 0.18 | 0.10 | 0.10 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.77 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 26427 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.31 | 0.21 | 28.70 | 0.14 | 12.68 | 0.09 | 12.57 | 96 | 12.5 | 52.08 | 3.5 | 1 | 1.48 | 1.46 | NA | NA | NA | NA | NA | 50.00 |
| 1754 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.24 | 0.20 | 0.20 | 0.11 | 0.11 | 0.09 | 0.09 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.19 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 20695 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.18 | 0.11 | 0.11 | 0.08 | 0.08 | 0.05 | 0.05 | 96 | 0 | 29.76 | 1 | 1 | 4 | 1.62 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 13314 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.16 | 0.11 | 0.11 | 0.07 | 0.07 | 0.05 | 0.05 | 96 | 3.1 | 44.19 | 1.67 | 1.15 | 1.74 | 1.48 | NA | NA | NA | NA | NA | 0.00 |
| 1919 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.16 | 0.08 | 0.08 | 0.07 | 0.07 | 0.04 | 0.04 | 96 | 9.46 | 43.92 | 7.53 | 1 | 1.62 | 1.98 | NA | NA | NA | NA | NA | 0.00 |
| 3020 | 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 |
| 8941 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.16 | 0.07 | 0.07 | 0.07 | 0.07 | 0.03 | 0.03 | 96 | 0 | 50 | 2.22 | 1 | 1.76 | 2.25 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 26371 | 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 | 2.01 | NA | NA | NA | NA | NA | 0.00 |
| 8960 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.20 | 0.06 | 0.06 | 0.09 | 0.09 | 0.03 | 0.03 | 80 | 0 | 50 | 1.33 | 1.14 | 2 | 2.66 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 12664 | 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 | 1.56 | NA | NA | NA | NA | NA | 0.00 |
| 26380 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.10 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 96 | 0 | 47.22 | 1.33 | 1.07 | 2.29 | 2.15 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 8917 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.10 | 0.04 | 0.04 | 0.05 | 0.05 | 0.02 | 0.02 | 95 | 0 | 45 | 2 | 1 | 1.85 | 2.35 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 20673 | 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 | 2.15 | NA | NA | NA | NA | NA | 0.00 |
| 3007 | exec - pair.cpp:1119-1125 | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.08 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.02 | 94 | NA | NA | NA | NA | NA | 1.91 | NA | NA | NA | NA | NA | 0.00 |
| 26433 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.08 | 0.04 | 2.70 | 0.04 | 1.33 | 0.02 | 1.18 | 93 | 9.09 | 52.27 | 4.75 | 1 | 1.64 | 2.16 | NA | NA | NA | NA | NA | 0.00 |
| 26432 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.06 | 0.03 | 0.03 | 0.03 | 0.03 | 0.01 | 0.01 | 89 | 8.82 | 50.74 | 1.59 | 1.31 | 1.35 | 2.11 | NA | NA | NA | NA | NA | 0.00 |
| 8940 | exec - atom_vec.cpp:823-830 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Innermost | 0.09 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 68 | 7.14 | 51.79 | 2 | 1.2 | 1.66 | 3.13 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 12941 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.06 | 0.02 | 0.02 | 0.02 | 0.02 | 0.01 | 0.01 | 83 | 4.26 | 44.15 | 2.63 | 1.37 | 1 | 2.59 | NA | NA | NA | NA | NA | 0.00 |
| 8534 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 76 | 3.57 | 36.61 | 4.38 | 1.25 | 2.03 | 1.48 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 26378 | 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 | 0.00 | 0.00 | 61 | 100 | 100 | 1 | 1 | 1 | 3.89 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 5849 | 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 | 91 | 40 | 65 | 1.5 | 1 | 1.3 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 26375 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 50 | 100 | 100 | 1 | 1 | 1 | 2.17 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 5855 | 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 | 61 | 7.69 | 50 | 1.25 | 1.11 | 1.74 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 21761 | exec - random_park.cpp:108-111 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 48 | 0 | 20.16 | 1 | 1 | 4.57 | 2.44 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 1915 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.03 | 0.01 | 14.72 | 0.01 | 6.60 | 0.00 | 6.45 | 47 | 0 | 50 | 5 | 1 | 2 | 2.39 | NA | NA | NA | NA | NA | 0.00 |
| 18452 | 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 | 54 | 25.53 | 59.04 | 1.38 | 1.36 | 1.34 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8538 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 35 | 0 | 31.25 | 1 | 1 | 3.71 | 1.75 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 20698 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 29 | 0 | 25 | 1 | 1 | 4 | 1.81 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 5899 | 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 | 29 | 0 | 31.25 | 7.02 | 1 | 3.97 | 1.93 | NA | NA | NA | NA | NA | 0.00 |
| 8461 | 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 | 22 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 1 | 1 | 0 | 75.00 |
| 26430 | exec - memory.h:53-96 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.02 | 0.00 | 73.45 | 0.01 | 32.50 | 0.00 | 32.18 | 15 | 22.33 | 55.7 | 5.06 | 1.64 | 1.15 | 1.87 | NA | NA | NA | NA | NA | 0.00 |
| 18414 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 14 | 100 | 100 | 1 | 1 | 1 | 1.87 | 0 | 1 | 0 | 1 | 0 | 75.00 |
| 1770 | 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 | 14 | 0 | 36.54 | 1 | 1 | 3.27 | 1 | 0 | 0 | 2 | 1 | 1 | 50.00 |
| 8540 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0 | 37.5 | 1 | 1 | 3.33 | 1 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 18422 | 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 | 13 | 0 | 44.51 | 1.67 | 1.23 | 2.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 9221 | 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 | 12 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 8537 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | InBetween | 0.01 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 0 | 27.78 | 1 | 1 | 3.58 | 1 | NA | NA | NA | NA | NA | 60.00 |
| 10168 | 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 | 11 | 0 | 37.5 | 1 | 1 | 3.91 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1517 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 11 | 0 | 25 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5868 | 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 | 3.33 | 47.5 | 6.21 | 1.69 | 1.26 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10264 | exec - comm_brick.cpp:698-1532 [...] | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.25 | 0.01 | 0.13 | 0.00 | 0.11 | 8 | 0 | 40.15 | 1 | 1.3 | 1.43 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8460 | 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 | 8 | 0 | 33.33 | 1 | 1 | 3.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10323 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.62 | 0.01 | 0.31 | 0.00 | 0.27 | 8 | 0.27 | 46.13 | 14.38 | 1.63 | 1.17 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1515 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0 | 28.13 | 1 | 1 | 3.64 | 1 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 9223 | 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 | 7 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 8539 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | InBetween | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0 | 37.5 | 1 | 1 | 1.96 | 1.71 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 8457 | exec - atom.cpp:971-971 | LAMMPS_NS::Atom::tag_extend() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0 | 25 | 1 | 1 | 4 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 8455 | exec - atom.cpp:912-914 | LAMMPS_NS::Atom::tag_check() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 2 | 1 | 0 | 75.00 |
| 9225 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 100 | 100 | 1 | 1 | 1 | 1.6 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 10267 | 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 |
| 5152 | 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 | 5 | 0 | 34.21 | 1 | 1 | 3.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8856 | 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 | 5 | 0 | 50 | 1 | 1 | 1.31 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8991 | exec - atom_vec.cpp:286-350 [...] | LAMMPS_NS::AtomVec::copy(int, int, int) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 5 | 0 | 48.08 | 1 | 1 | 1.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8536 | 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 |
| 21762 | exec - random_park.cpp:126-126 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0 | 50 | 1 | 1 | 2 | 1.5 | NA | NA | NA | NA | NA | 0.00 |
| 1284 | exec - modify.cpp:401-403 | LAMMPS_NS::Modify::initial_integrate(int) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0 | 50 | 1 | 1 | 2 | 1 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
| 26372 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0 | 50 | 1.48 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 16538 | exec - fix_nve.cpp:98-109 | LAMMPS_NS::FixNVE::initial_integrate(int) | Outermost | 0.01 | 0.00 | 2.72 | 0.01 | 1.21 | 0.00 | 1.19 | 3 | 6.9 | 51.72 | 1.25 | 1.14 | 1.61 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1270 | 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 | 3 | 0 | 50 | 1 | 1 | 2 | 1 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
| 8961 | exec - atom_vec.cpp:360-440 [...] | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Outermost | 0.01 | 0.00 | 0.07 | 0.01 | 0.07 | 0.00 | 0.03 | 3 | 1.54 | 50.38 | 2.02 | 1.32 | 1.4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 26379 | 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 | 3 | 0 | 48.08 | 1.4 | 1.03 | 2.11 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10182 | exec - comm_brick.cpp:1003-1025 | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 54.55 | 1 | 1 | 1.16 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 513 | 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 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 46.43 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1283 | exec - modify.cpp:401-403 | LAMMPS_NS::Modify::initial_integrate(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0 | 75 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10183 | 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 |
| 1835 | 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 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 16539 | exec - fix_nve.cpp:122-146 | LAMMPS_NS::FixNVE::final_integrate() | Outermost | 0.01 | 0.00 | 1.68 | 0.00 | 0.76 | 0.00 | 0.74 | 2 | 6 | 51 | 1.41 | 1.2 | 1.52 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8541 | 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 |
| 10176 | exec - comm_brick.cpp:1045-1065 | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0 | 40.63 | 1 | 1 | 3.66 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1755 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 10178 | exec - comm_brick.cpp:1045-1065 | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 42.31 | 1 | 1 | 2.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1753 | 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 | 1 | 0 | 41.67 | 1 | 1 | 3.27 | 1 | 1 | 0 | 0 | 4 | 2 | 42.86 |
| 4553 | exec - basic_string.h:198-1619 [...] | LAMMPS_NS::Thermo::header() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 47.97 | 1 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10173 | 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 | 1 | 0 | 35.71 | 1 | 1 | 3.64 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 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 |
| 1266 | exec - modify.cpp:544-544 | LAMMPS_NS::Modify::post_run() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1 | 2 | 1 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 10263 | exec - comm_brick.cpp:698-1532 [...] | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.25 | 0.00 | 0.12 | 0.00 | 0.11 | 1 | 0 | 41.67 | 1 | 1 | 2.8 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10261 | 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 |
| 1750 | exec - neighbor.cpp:2512-2544 [...] | LAMMPS_NS::Neighbor::build(int) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 44.64 | 1 | 1 | 3.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10327 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.62 | 0.00 | 0.28 | 0.00 | 0.27 | 1 | 0 | 39.86 | 1 | 1.29 | 3.01 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 2596 | exec - nstencil_bin.cpp:54-63 [...] | LAMMPS_NS::NStencilBin<1, 1, 0>::create() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 30.77 | 2.67 | 1 | 3.56 | 1 | 0 | 0 | 0 | 1 | 1 | 25.00 |
| 1570 | exec - neighbor.cpp:2409-2442 | LAMMPS_NS::Neighbor::check_distance() | Outermost | 0.01 | 0.00 | 0.30 | 0.00 | 0.12 | 0.00 | 0.13 | 1 | 8 | 53.57 | 1.66 | 1.49 | 1.58 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8872 | 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 | 38.64 | 1 | 1 | 3.38 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 17842 | exec - core.h:1780-2535 [...] | void fmt::v10_lmp::detail::vformat_to<char>(fmt::v10_lmp::detail::buffer<char>&, fmt::v10_lmp::basic_string_view<char>, fmt::v10_lmp::detail::vformat_args<char>::type, fmt::v10_lmp::detail::locale_ref) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 33.75 | 1 | 1 | 6 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 20694 | exec - nbin_standard.cpp:246-261 [...] | LAMMPS_NS::NBinStandard::bin_atoms() | Outermost | 0.01 | 0.00 | 0.11 | 0.00 | 0.06 | 0.00 | 0.05 | 1 | 0 | 37.07 | 1 | 1 | 1.72 | 1 | NA | NA | NA | NA | NA | 0.00 |
