| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_1 (%) | Exclusive Coverage gcc_1 (%) | Inclusive Coverage gcc_1 (%) | Max Exclusive Time Over Threads gcc_1 (s) | Max Inclusive Time Over Threads gcc_1 (s) | Exclusive Time w.r.t. Wall Time gcc_1 (s) | Inclusive Time w.r.t. Wall Time gcc_1 (s) | Nb Threads gcc_1 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_1 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 26437 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 41.62 | 41.38 | 41.38 | 18.41 | 18.41 | 18.11 | 18.11 | 96 | 12.82 | 55.77 | 2.52 | 1.58 | 1.18 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 26441 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.42 | 28.40 | 28.40 | 12.57 | 12.57 | 12.43 | 12.43 | 96 | 10.18 | 50.61 | 2.28 | 1.55 | 1.24 | 1.01 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1919 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 11.83 | 11.46 | 14.45 | 5.24 | 6.46 | 5.01 | 6.32 | 96 | 6.25 | 46.88 | 3.67 | 1.37 | 1.35 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 16580 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.80 | 2.71 | 2.71 | 1.24 | 1.24 | 1.19 | 1.19 | 96 | 5.03 | 44.51 | 1.23 | 1.14 | 1.65 | 1.05 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 26440 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 2.89 | 2.66 | 2.66 | 1.28 | 1.28 | 1.17 | 1.17 | 96 | 12.2 | 54.88 | 2.52 | 1.53 | 1.2 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 16584 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.79 | 1.67 | 1.67 | 0.79 | 0.79 | 0.73 | 0.73 | 96 | 6.25 | 50 | 1.37 | 1.17 | 1.6 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 1920 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.84 | 1.62 | 1.62 | 0.82 | 0.82 | 0.71 | 0.71 | 96 | 0 | 43.75 | 1 | 1 | 1.27 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 1917 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.58 | 1.30 | 1.38 | 0.70 | 0.75 | 0.57 | 0.60 | 96 | 0 | 48.86 | 1 | 1 | 1.71 | 1.24 | NA | NA | NA | NA | NA | 0.00 |
| 10358 | exec - comm_brick.cpp:841-1542 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.66 | 0.61 | 0.61 | 0.29 | 0.29 | 0.27 | 0.27 | 96 | 0 | 43.42 | 13.58 | 1.53 | 1.23 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 26434 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.49 | 0.35 | 0.35 | 0.22 | 0.22 | 0.15 | 0.15 | 96 | 6.9 | 47.41 | 1.75 | 1.45 | 1.24 | 1.39 | 2 | 0 | 0 | 4 | 7 | 30.77 |
| 1921 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.46 | 0.31 | 0.31 | 0.20 | 0.20 | 0.13 | 0.13 | 96 | NA | NA | NA | NA | NA | 1.53 | NA | NA | NA | NA | NA | 0.00 |
| 1573 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.37 | 0.30 | 0.30 | 0.17 | 0.17 | 0.13 | 0.13 | 96 | 18.18 | 59.09 | 1.5 | 1.5 | 1.2 | 1.26 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 26435 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.45 | 0.30 | 41.68 | 0.20 | 18.52 | 0.13 | 18.24 | 96 | 10 | 55 | 3.5 | 1 | 1.53 | 1.54 | NA | NA | NA | NA | NA | 0.00 |
| 8803 | 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 | 1.38 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 10285 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.33 | 0.24 | 0.24 | 0.15 | 0.15 | 0.11 | 0.11 | 96 | 0 | 43.75 | 2 | 1 | 2 | 1.38 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 9015 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.40 | 0.23 | 0.23 | 0.17 | 0.17 | 0.10 | 0.10 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.71 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1756 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.24 | 0.20 | 0.20 | 0.10 | 0.10 | 0.09 | 0.09 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.17 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 26433 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.35 | 0.20 | 28.60 | 0.16 | 12.66 | 0.09 | 12.52 | 96 | 12.5 | 52.08 | 3.5 | 1 | 1.48 | 1.79 | NA | NA | NA | NA | NA | 50.00 |
| 20742 | 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 | 1.66 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 13355 | 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 | 3.28 | 45.29 | 1.67 | 1.17 | 1.66 | 1.5 | NA | NA | NA | NA | NA | 0.00 |
| 1922 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.15 | 0.08 | 0.08 | 0.07 | 0.07 | 0.03 | 0.03 | 95 | 9.46 | 43.92 | 7.53 | 1 | 1.62 | 1.89 | NA | NA | NA | NA | NA | 0.00 |
| 8965 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.14 | 0.08 | 0.08 | 0.06 | 0.06 | 0.03 | 0.03 | 96 | 0 | 50 | 2.22 | 1 | 1.76 | 1.8 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 3018 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.11 | 0.07 | 0.07 | 0.05 | 0.05 | 0.03 | 0.03 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1.54 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 26377 | 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 | 1.85 | NA | NA | NA | NA | NA | 0.00 |
| 8984 | 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 | 79 | 0 | 50 | 1.33 | 1.14 | 2 | 2.69 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8940 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.11 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 95 | 0 | 45 | 2 | 1 | 1.85 | 2.27 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 26386 | 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 | 2.3 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 20720 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.10 | 0.05 | 0.05 | 0.05 | 0.05 | 0.02 | 0.02 | 95 | 0 | 41.96 | 1.98 | 1.26 | 2.7 | 2.09 | NA | NA | NA | NA | NA | 0.00 |
| 12698 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.07 | 0.04 | 0.04 | 0.03 | 0.03 | 0.02 | 0.02 | 96 | 9.09 | 50 | 1.6 | 1.23 | 1.52 | 1.7 | NA | NA | NA | NA | NA | 0.00 |
| 3005 | exec - pair.cpp:1119-1125 | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.09 | 0.04 | 0.04 | 0.04 | 0.04 | 0.02 | 0.02 | 89 | NA | NA | NA | NA | NA | 2.14 | NA | NA | NA | NA | NA | 0.00 |
| 26439 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.07 | 0.03 | 2.69 | 0.03 | 1.28 | 0.01 | 1.18 | 87 | 9.09 | 52.27 | 4.75 | 1 | 1.64 | 2.07 | NA | NA | NA | NA | NA | 0.00 |
| 26438 | 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 | 87 | 8.82 | 50.74 | 1.59 | 1.31 | 1.35 | 2.11 | NA | NA | NA | NA | NA | 0.00 |
| 8964 | exec - atom_vec.cpp:823-830 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Innermost | 0.07 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.01 | 68 | 7.14 | 51.79 | 2 | 1.2 | 1.66 | 2.52 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 12974 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.05 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 78 | 4.26 | 44.15 | 2.63 | 1.37 | 1 | 2.64 | NA | NA | NA | NA | NA | 0.00 |
| 8558 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 83 | 3.57 | 36.61 | 4.38 | 1.25 | 2.03 | 1.66 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 26384 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.05 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 61 | 100 | 100 | 1 | 1 | 1 | 2.62 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 5890 | 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 | 86 | 7.69 | 50 | 1.25 | 1.11 | 1.74 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 26381 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.05 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 55 | 100 | 100 | 1 | 1 | 1 | 2.78 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 5884 | 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 | 64 | 22.22 | 55.56 | 1.5 | 1.33 | 1.41 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 21792 | exec - random_park.cpp:108-111 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.03 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 43 | 0 | 20.16 | 1 | 1 | 4.57 | 2.22 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 1918 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.03 | 0.01 | 14.77 | 0.02 | 6.56 | 0.00 | 6.46 | 41 | 0 | 50 | 5 | 1 | 2 | 2.32 | NA | NA | NA | NA | NA | 0.00 |
| 18461 | exec - group.cpp:875-876 | LAMMPS_NS::Group::mass(int) | Innermost | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 47 | 0 | 44.51 | 1.67 | 1.23 | 2.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8562 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 31 | 0 | 31.25 | 1 | 1 | 3.71 | 1.72 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 18453 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 36 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 18491 | 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 | 33 | 25.53 | 59.04 | 1.38 | 1.36 | 1.34 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5934 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Innermost | 0.03 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 25 | 0 | 31.25 | 7.02 | 1 | 3.97 | 2.27 | NA | NA | NA | NA | NA | 0.00 |
| 20745 | 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 | 24 | 0 | 25 | 1 | 1 | 4 | 1.6 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 8563 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | InBetween | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 24 | 0 | 37.5 | 1 | 1 | 1.96 | 1.85 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 8564 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 23 | 0 | 37.5 | 1 | 1 | 3.33 | 1.84 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 9253 | 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 | 15 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 1772 | exec - neighbor.cpp:3045-3046 | LAMMPS_NS::Neighbor::get_nneigh_half() | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 0 | 36.54 | 1 | 1 | 3.27 | 1.85 | 0 | 0 | 2 | 1 | 1 | 50.00 |
| 1518 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 100 | 100 | 1 | 1 | 1 | 1.69 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 8561 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | InBetween | 0.01 | 0.00 | 0.01 | 0.01 | 0.02 | 0.00 | 0.00 | 12 | 0 | 27.78 | 1 | 1 | 3.58 | 1 | NA | NA | NA | NA | NA | 60.00 |
| 26436 | exec - memory.h:53-96 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.02 | 0.00 | 73.34 | 0.01 | 32.46 | 0.00 | 32.10 | 11 | 22.33 | 55.7 | 5.06 | 1.64 | 1.15 | 1.83 | NA | NA | NA | NA | NA | 0.00 |
| 5178 | exec - variable.cpp:917-919 | LAMMPS_NS::Variable::set_arrays(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 11 | 0 | 34.21 | 1 | 1 | 3.5 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5903 | exec - velocity.cpp:332-350 | LAMMPS_NS::Velocity::create(double, int) | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 3.33 | 47.5 | 6.21 | 1.69 | 1.26 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 9249 | 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 | 9 | 100 | 100 | 1 | 1 | 1 | 1.8 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 9251 | 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 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 9016 | 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 | 9 | 0 | 48.08 | 1 | 1 | 1.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10191 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0 | 37.5 | 1 | 1 | 3.91 | 1.78 | NA | NA | NA | NA | NA | 0.00 |
| 10287 | exec - comm_brick.cpp:698-1532 [...] | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.24 | 0.01 | 0.12 | 0.00 | 0.11 | 8 | 0 | 40.15 | 1 | 1.3 | 1.43 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1285 | exec - modify.cpp:401-403 | LAMMPS_NS::Modify::initial_integrate(int) | Outermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0 | 50 | 1 | 1 | 2 | 1.75 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
| 10290 | 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 | 7 | 0 | 47.22 | 1 | 1 | 1.84 | 1 | 1 | 0 | 0 | 1.5 | 0.5 | 50.00 |
| 8560 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 8879 | exec - atom_vec.cpp:1616-1652 [...] | LAMMPS_NS::AtomVec::create_atom(int, double*) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 7 | 0 | 50 | 1 | 1 | 1.31 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 21793 | 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 | 7 | 0 | 50 | 1 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1516 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0 | 28.13 | 1 | 1 | 3.64 | 1 | 0 | 0 | 2 | 1 | 0 | 66.67 |
| 8507 | 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 | 6 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 0 | 16 | 0 | 52.94 |
| 8485 | 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 | 6 | 0 | 25 | 1 | 1 | 4 | 1 | 1 | 0 | 1 | 1 | 0 | 75.00 |
| 26378 | 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 | 5 | 0 | 50 | 1.48 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10347 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.61 | 0.00 | 0.28 | 0.00 | 0.27 | 5 | 0.27 | 46.13 | 14.34 | 1.63 | 1.17 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8484 | exec - atom.cpp:958-958 | LAMMPS_NS::Atom::tag_extend() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0 | 33.33 | 1 | 1 | 3.27 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 26385 | exec - pair_eam.cpp:972-980 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Outermost | 0.01 | 0.00 | 0.05 | 0.00 | 0.05 | 0.00 | 0.02 | 3 | 0 | 48.08 | 1.4 | 1.03 | 2.11 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 16581 | exec - fix_nve.cpp:98-109 | LAMMPS_NS::FixNVE::initial_integrate(int) | Outermost | 0.01 | 0.00 | 2.71 | 0.00 | 1.18 | 0.00 | 1.19 | 3 | 6.9 | 51.72 | 1.25 | 1.14 | 1.61 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8895 | 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 | 3 | 0 | 42.31 | 1 | 1 | 1.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1271 | 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 |
| 1836 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 10206 | 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 | 2 | 0 | 31.82 | 1 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10199 | 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 | 2 | 0 | 40.63 | 1 | 1 | 3.66 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1572 | exec - neighbor.cpp:2409-2442 | LAMMPS_NS::Neighbor::check_distance() | Outermost | 0.01 | 0.00 | 0.30 | 0.00 | 0.14 | 0.00 | 0.13 | 2 | 8 | 53.57 | 1.66 | 1.49 | 1.58 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10194 | 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 |
| 8565 | 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 |
| 1284 | 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 |
| 8985 | exec - atom_vec.cpp:360-440 [...] | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Outermost | 0.01 | 0.00 | 0.06 | 0.00 | 0.08 | 0.00 | 0.03 | 2 | 1.54 | 49.62 | 2.02 | 1.3 | 1.42 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10284 | 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 | 2 | 0 | 36.57 | 14.1 | 1.33 | 3.19 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 16582 | exec - fix_nve.cpp:122-146 | LAMMPS_NS::FixNVE::final_integrate() | Outermost | 0.01 | 0.00 | 1.67 | 0.00 | 0.78 | 0.00 | 0.73 | 1 | 6 | 51 | 1.41 | 1.2 | 1.52 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 12982 | exec - create_atoms.cpp:1326-1446 [...] | LAMMPS_NS::CreateAtoms::add_lattice() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 14.5 | 52.48 | 2.4 | 1.46 | 1.25 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 516 | exec - char_traits.h:368-381 [...] | 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... | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1 | 2 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1522 | exec - modify.cpp:1823-1823 | LAMMPS_NS::Modify::memory_usage() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1.82 | 2 | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
| 10205 | exec - comm_brick.cpp:1003-1025 | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | Outermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0 | 54.55 | 1 | 1 | 1.16 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 4662 | 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 | 32.43 | 64.86 | 1.29 | 1 | 1.35 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8942 | exec - atom_vec.cpp:802-892 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Outermost | 0.01 | 0.00 | 0.02 | 0.00 | 0.01 | 0.00 | 0.01 | 1 | 4.55 | 52.84 | 5 | 1.57 | 1.19 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 10346 | exec - comm_brick.cpp:795-1542 [...] | LAMMPS_NS::CommBrick::borders() | Outermost | 0.01 | 0.00 | 0.61 | 0.00 | 0.29 | 0.00 | 0.27 | 1 | 0 | 52.27 | 1 | 1 | 1.31 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 12972 | exec - create_atoms.cpp:1467-1544 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Outermost | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 0.00 | 0.01 | 1 | 33.33 | 100 | 3 | 1 | 1 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1754 | 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 | 31.15 | 1 | 1 | 3.75 | 1 | 1 | 0 | 0 | 3 | 4 | 31.25 |
| 1725 | exec - neighbor.cpp:2350-2352 | LAMMPS_NS::Neighbor::setup_bins() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0 | 50 | 1 | 1 | 2 | 1 | 1 | 0 | 0 | 4 | 3 | 37.50 |
| 1270 | 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 |
| 10351 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.61 | 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 |
| 10196 | 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 |
| 1757 | 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 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
