| 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 | 44.32 | 43.52 | 43.52 | 91.62 | 91.62 | 89.59 | 89.59 | 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 | 29.49 | 29.15 | 29.15 | 60.96 | 60.96 | 60.01 | 60.01 | 96 | 10.18 | 50.61 | 2.28 | 1.55 | 1.24 | 1.02 | 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 | 11.56 | 11.27 | 14.17 | 23.89 | 29.91 | 23.19 | 29.17 | 96 | 6.25 | 46.88 | 3.67 | 1.37 | 1.35 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 16537 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.76 | 2.72 | 2.72 | 5.71 | 5.71 | 5.60 | 5.60 | 96 | 5.03 | 44.51 | 1.23 | 1.14 | 1.65 | 1.02 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 16541 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.80 | 1.68 | 1.68 | 3.73 | 3.73 | 3.46 | 3.46 | 96 | 6.25 | 50 | 1.37 | 1.17 | 1.6 | 1.08 | 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 | 1.71 | 1.59 | 1.59 | 3.53 | 3.53 | 3.27 | 3.27 | 96 | 0 | 43.75 | 1 | 1 | 1.27 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 26434 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.62 | 1.42 | 1.42 | 3.35 | 3.35 | 2.92 | 2.92 | 96 | 12.2 | 54.88 | 2.52 | 1.53 | 1.2 | 1.15 | 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 | 1.36 | 1.24 | 1.32 | 2.81 | 3.01 | 2.55 | 2.71 | 96 | 0 | 48.86 | 1 | 1 | 1.71 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 10334 | exec - comm_brick.cpp:841-1542 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.65 | 0.59 | 0.59 | 1.34 | 1.34 | 1.22 | 1.22 | 96 | 0 | 43.42 | 13.58 | 1.53 | 1.23 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 26428 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.41 | 0.35 | 0.35 | 0.84 | 0.84 | 0.73 | 0.73 | 96 | 6.9 | 47.41 | 1.75 | 1.45 | 1.24 | 1.15 | 2 | 0 | 0 | 4 | 7 | 30.77 |
| 26429 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.39 | 0.30 | 43.82 | 0.81 | 92.25 | 0.62 | 90.20 | 96 | 10 | 55 | 3.5 | 1 | 1.53 | 1.31 | NA | NA | NA | NA | NA | 0.00 |
| 1918 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.36 | 0.30 | 0.30 | 0.74 | 0.74 | 0.61 | 0.61 | 96 | NA | NA | NA | NA | NA | 1.21 | NA | NA | NA | NA | NA | 0.00 |
| 1571 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.35 | 0.27 | 0.27 | 0.73 | 0.73 | 0.55 | 0.55 | 96 | 18.18 | 59.09 | 1.5 | 1.5 | 1.2 | 1.31 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 8990 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.39 | 0.25 | 0.25 | 0.81 | 0.81 | 0.52 | 0.52 | 96 | 0 | 50 | 1.33 | 1 | 2 | 1.56 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8781 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.32 | 0.24 | 0.24 | 0.66 | 0.66 | 0.50 | 0.50 | 96 | 9.09 | 54.55 | 1.25 | 1.18 | 1.54 | 1.31 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 10262 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.29 | 0.24 | 0.24 | 0.60 | 0.60 | 0.49 | 0.49 | 96 | 0 | 43.75 | 2 | 1 | 2 | 1.22 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 26427 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.27 | 0.21 | 29.36 | 0.56 | 61.32 | 0.42 | 60.43 | 96 | 12.5 | 52.08 | 3.5 | 1 | 1.48 | 1.33 | 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 | 0.49 | 0.49 | 0.41 | 0.41 | 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 | 0.13 | 0.11 | 0.11 | 0.28 | 0.28 | 0.23 | 0.23 | 96 | 0 | 29.76 | 1 | 1 | 4 | 1.2 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 13314 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.12 | 0.09 | 0.09 | 0.24 | 0.24 | 0.19 | 0.19 | 96 | 3.1 | 44.19 | 1.67 | 1.15 | 1.74 | 1.31 | 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 | 0.11 | 0.08 | 0.08 | 0.23 | 0.23 | 0.16 | 0.16 | 96 | 9.46 | 43.92 | 7.53 | 1 | 1.62 | 1.43 | NA | NA | NA | NA | NA | 0.00 |
| 26371 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Outermost | 0.11 | 0.07 | 0.07 | 0.22 | 0.22 | 0.14 | 0.14 | 96 | 0 | 50 | 1.5 | 1 | 2 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 8941 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.12 | 0.07 | 0.07 | 0.25 | 0.25 | 0.14 | 0.14 | 96 | 0 | 50 | 2.22 | 1 | 1.76 | 1.83 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 8960 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.19 | 0.07 | 0.07 | 0.40 | 0.40 | 0.14 | 0.14 | 80 | 0 | 50 | 1.33 | 1.14 | 2 | 2.39 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8917 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.07 | 0.05 | 0.05 | 0.14 | 0.14 | 0.10 | 0.10 | 96 | 0 | 45 | 2 | 1 | 1.85 | 1.51 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 26380 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.09 | 0.05 | 0.05 | 0.18 | 0.18 | 0.09 | 0.09 | 96 | 0 | 47.22 | 1.33 | 1.07 | 2.29 | 1.91 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 20673 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.07 | 0.04 | 0.04 | 0.14 | 0.14 | 0.09 | 0.09 | 96 | 0 | 41.96 | 1.98 | 1.26 | 2.7 | 1.59 | NA | NA | NA | NA | NA | 0.00 |
| 3020 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.05 | 0.04 | 0.04 | 0.10 | 0.10 | 0.08 | 0.08 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1.26 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 3007 | exec - pair.cpp:1119-1125 | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.04 | 0.02 | 0.02 | 0.08 | 0.08 | 0.04 | 0.04 | 96 | NA | NA | NA | NA | NA | 1.86 | NA | NA | NA | NA | NA | 0.00 |
| 12664 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.03 | 0.02 | 0.02 | 0.06 | 0.06 | 0.04 | 0.04 | 96 | 9.09 | 50 | 1.6 | 1.23 | 1.52 | 1.52 | 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 | 0.06 | 0.02 | 0.02 | 0.13 | 0.13 | 0.04 | 0.04 | 80 | 7.14 | 51.79 | 2 | 1.2 | 1.66 | 2.7 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 26433 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.03 | 0.02 | 1.44 | 0.07 | 3.38 | 0.04 | 2.96 | 96 | 9.09 | 52.27 | 4.75 | 1 | 1.64 | 1.84 | NA | NA | NA | NA | NA | 0.00 |
| 26378 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.03 | 0.01 | 0.01 | 0.07 | 0.07 | 0.03 | 0.03 | 96 | 100 | 100 | 1 | 1 | 1 | 2.66 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 26432 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.02 | 0.01 | 0.01 | 0.05 | 0.05 | 0.02 | 0.02 | 96 | 8.82 | 50.74 | 1.59 | 1.31 | 1.35 | 1.99 | NA | NA | NA | NA | NA | 0.00 |
| 1915 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.02 | 0.01 | 14.48 | 0.04 | 30.56 | 0.02 | 29.80 | 89 | 0 | 50 | 5 | 1 | 2 | 2.41 | NA | NA | NA | NA | NA | 0.00 |
| 26375 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.02 | 0.01 | 0.01 | 0.04 | 0.04 | 0.02 | 0.02 | 92 | 100 | 100 | 1 | 1 | 1 | 2.55 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 20698 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.01 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 | 81 | 0 | 25 | 1 | 1 | 4 | 2.5 | 1 | 0 | 0 | 0 | 0 | 100.00 |
| 5899 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.03 | 0.03 | 0.01 | 0.01 | 75 | 0 | 31.25 | 7.02 | 1 | 3.97 | 2.37 | NA | NA | NA | NA | NA | 0.00 |
