| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_2 (%) | Exclusive Coverage gcc_2 (%) | Inclusive Coverage gcc_2 (%) | Max Exclusive Time Over Threads gcc_2 (s) | Max Inclusive Time Over Threads gcc_2 (s) | Exclusive Time w.r.t. Wall Time gcc_2 (s) | Inclusive Time w.r.t. Wall Time gcc_2 (s) | Nb Threads gcc_2 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_2 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 26350 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 46.28 | 45.99 | 45.99 | 200.38 | 200.38 | 198.39 | 198.39 | 64 | 12.82 | 27.88 | 2.52 | 1.65 | 4.32 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 26354 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 29.00 | 28.91 | 28.91 | 125.55 | 125.55 | 124.70 | 124.70 | 64 | 10.18 | 25.3 | 2.28 | 1.66 | 4.05 | 1.01 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1914 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 10.94 | 10.76 | 13.83 | 47.37 | 60.73 | 46.41 | 59.64 | 64 | 6.25 | 23.44 | 3.67 | 1.52 | 5.03 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 16472 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.27 | 2.25 | 2.25 | 9.82 | 9.82 | 9.70 | 9.70 | 64 | 5.03 | 22.25 | 1.23 | 1.15 | 4.21 | 1.01 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 1915 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.89 | 1.79 | 1.79 | 8.18 | 8.18 | 7.72 | 7.72 | 64 | 0 | 26.04 | 1 | 1 | 1.27 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 26353 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.55 | 1.49 | 1.49 | 6.72 | 6.72 | 6.41 | 6.41 | 64 | 12.2 | 27.44 | 2.52 | 1.58 | 4.33 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 16476 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.44 | 1.38 | 1.38 | 6.23 | 6.23 | 5.96 | 5.96 | 64 | 6.25 | 25 | 1.37 | 1.19 | 2.67 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 1912 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.27 | 1.20 | 1.28 | 5.52 | 5.83 | 5.17 | 5.51 | 64 | 0 | 28.98 | 1 | 1 | 2.03 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 26348 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.80 | 0.72 | 46.71 | 3.45 | 203.31 | 3.10 | 201.48 | 64 | 10 | 36.25 | 3.5 | 1 | 1.91 | 1.12 | NA | NA | NA | NA | NA | 0.00 |
| 10318 | exec - comm_brick.cpp:841-1542 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.50 | 0.48 | 0.48 | 2.19 | 2.19 | 2.08 | 2.08 | 64 | 0 | 21.71 | 13.58 | 1.98 | 6.31 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 26346 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.53 | 0.47 | 29.38 | 2.28 | 127.52 | 2.02 | 126.72 | 64 | 12.5 | 34.38 | 3.5 | 1 | 1.75 | 1.13 | NA | NA | NA | NA | NA | 50.00 |
| 1916 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.50 | 0.44 | 0.44 | 2.15 | 2.15 | 1.92 | 1.92 | 64 | NA | NA | NA | NA | NA | 1.12 | NA | NA | NA | NA | NA | 0.00 |
| 26347 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.36 | 0.33 | 0.33 | 1.56 | 1.56 | 1.42 | 1.42 | 64 | 6.9 | 23.71 | 1.75 | 1.65 | 4.8 | 1.1 | 2 | 0 | 0 | 4 | 7 | 30.77 |
| 8770 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.26 | 0.21 | 0.21 | 1.13 | 1.13 | 0.92 | 0.92 | 64 | 9.09 | 27.27 | 1.25 | 1.18 | 3.64 | 1.23 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1569 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.22 | 0.21 | 0.21 | 0.96 | 0.96 | 0.89 | 0.89 | 64 | 18.18 | 29.55 | 1.5 | 1.33 | 3 | 1.08 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 10246 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.21 | 0.20 | 0.20 | 0.92 | 0.92 | 0.84 | 0.84 | 64 | 0 | 21.88 | 2 | 1 | 4 | 1.09 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 8978 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.26 | 0.18 | 0.18 | 1.13 | 1.13 | 0.78 | 0.78 | 64 | 0 | 25 | 1.33 | 1 | 4 | 1.45 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1752 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.16 | 0.15 | 0.15 | 0.71 | 0.71 | 0.66 | 0.66 | 64 | 0 | 25 | 1.33 | 1 | 4 | 1.08 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 20621 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.13 | 0.10 | 0.10 | 0.55 | 0.55 | 0.44 | 0.44 | 64 | 0 | 14.88 | 1 | 1 | 8 | 1.23 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 1917 | 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 | 0.49 | 0.49 | 0.33 | 0.33 | 64 | 9.46 | 26.01 | 7.53 | 1 | 2.01 | 1.45 | NA | NA | NA | NA | NA | 0.00 |
| 13262 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.08 | 0.08 | 0.08 | 0.36 | 0.36 | 0.33 | 0.33 | 64 | 3.28 | 22.64 | 1.67 | 1.24 | 4.8 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 26290 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Outermost | 0.09 | 0.07 | 0.07 | 0.41 | 0.41 | 0.31 | 0.32 | 64 | 0 | 25 | 1.5 | 1 | 4 | 1.31 | NA | NA | NA | NA | NA | 0.00 |
| 8948 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.15 | 0.06 | 0.06 | 0.67 | 0.67 | 0.27 | 0.27 | 56 | 0 | 25 | 1.33 | 1.23 | 4 | 2.16 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8929 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.11 | 0.06 | 0.06 | 0.47 | 0.47 | 0.26 | 0.26 | 64 | 0 | 25 | 2.22 | 1 | 4.43 | 1.81 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 26300 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.07 | 0.05 | 0.05 | 0.31 | 0.31 | 0.21 | 0.21 | 64 | 0 | 23.61 | 1.33 | 1.1 | 4.57 | 1.48 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 8905 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.06 | 0.04 | 0.04 | 0.27 | 0.27 | 0.17 | 0.17 | 64 | 0 | 22.5 | 2 | 1 | 4.8 | 1.54 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 20599 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.06 | 0.04 | 0.04 | 0.25 | 0.25 | 0.16 | 0.16 | 64 | 0 | 20.98 | 2.4 | 1 | 4 | 1.52 | NA | NA | NA | NA | NA | 0.00 |
| 3013 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.03 | 0.03 | 0.03 | 0.14 | 0.14 | 0.13 | 0.13 | 64 | 0 | 25 | 1.11 | 1.08 | 4 | 1.08 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 26352 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.03 | 0.02 | 1.51 | 0.13 | 6.81 | 0.09 | 6.50 | 64 | 9.09 | 35.23 | 4.75 | 1 | 1.84 | 1.52 | NA | NA | NA | NA | NA | 0.00 |
| 8928 | exec - atom_vec.cpp:823-830 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Innermost | 0.05 | 0.02 | 0.02 | 0.21 | 0.21 | 0.08 | 0.08 | 56 | 7.14 | 25.89 | 2 | 1.14 | 4.17 | 2.34 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 12616 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.02 | 0.02 | 0.02 | 0.08 | 0.08 | 0.07 | 0.07 | 64 | 9.09 | 25 | 1.6 | 1.23 | 4.27 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 3000 | exec - pair.cpp:1119-1125 | LAMMPS_NS::Pair::ev_tally(int, int, int, int, double, double, double, double, double, double) | Outermost | 0.03 | 0.02 | 0.02 | 0.11 | 0.11 | 0.07 | 0.07 | 64 | NA | NA | NA | NA | NA | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 26351 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.01 | 0.01 | 0.01 | 0.06 | 0.06 | 0.04 | 0.04 | 64 | 8.82 | 25.37 | 1.59 | 1.35 | 4.23 | 1.49 | NA | NA | NA | NA | NA | 0.00 |
| 26298 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.02 | 0.01 | 0.01 | 0.07 | 0.07 | 0.04 | 0.04 | 64 | 100 | 50 | 1 | 1 | 2 | 1.77 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 1913 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.01 | 0.01 | 14.28 | 0.06 | 62.57 | 0.03 | 61.59 | 64 | 0 | 25 | 5 | 1 | 4 | 2.21 | NA | NA | NA | NA | NA | 0.00 |
| 26294 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.01 | 0.01 | 0.01 | 0.05 | 0.05 | 0.02 | 0.02 | 64 | 100 | 50 | 1 | 1 | 2 | 2.05 | 0 | 0 | 4 | 0 | 0 | 75.00 |
