| 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 |
|---|
| 26550 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 45.92 | 45.50 | 45.50 | 199.54 | 199.54 | 196.87 | 196.87 | 64 | 12.82 | 27.88 | 2.52 | 1.65 | 4.32 | 1.01 | NA | NA | NA | NA | NA | 0.00 |
| 26554 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.99 | 28.93 | 28.93 | 126.00 | 126.00 | 125.16 | 125.16 | 64 | 10.18 | 25.3 | 2.28 | 1.66 | 4.05 | 1.01 | 1 | 1 | 0 | 3.33 | 4.33 | 43.67 |
| 1921 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 11.22 | 11.02 | 14.18 | 48.78 | 62.47 | 47.69 | 61.34 | 64 | 6.25 | 23.44 | 3.67 | 1.52 | 5.03 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 16619 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Innermost | 2.26 | 2.24 | 2.24 | 9.84 | 9.84 | 9.69 | 9.69 | 64 | 5.03 | 22.25 | 1.23 | 1.15 | 4.21 | 1.02 | 0.75 | 0 | 0 | 7 | 0.75 | 50.00 |
| 1922 | exec - npair_bin.cpp:122-174 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 1.93 | 1.84 | 1.84 | 8.38 | 8.38 | 7.94 | 7.94 | 64 | 0 | 26.04 | 1 | 1 | 1.27 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 26553 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.50 | 1.48 | 1.48 | 6.54 | 6.54 | 6.42 | 6.42 | 64 | 12.2 | 27.44 | 2.52 | 1.58 | 4.33 | 1.02 | NA | NA | NA | NA | NA | 0.00 |
| 16623 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Innermost | 1.41 | 1.38 | 1.38 | 6.14 | 6.14 | 5.99 | 5.99 | 64 | 6.25 | 25 | 1.37 | 1.19 | 2.67 | 1.03 | 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*) | InBetween | 1.42 | 1.24 | 1.32 | 6.18 | 6.58 | 5.37 | 5.71 | 64 | 0 | 28.98 | 1 | 1 | 2.03 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 26548 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.78 | 0.71 | 46.21 | 3.39 | 202.86 | 3.06 | 199.94 | 64 | 10 | 36.25 | 3.5 | 1 | 1.91 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 10386 | exec - comm_brick.cpp:841-1542 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.52 | 0.48 | 0.48 | 2.24 | 2.24 | 2.09 | 2.09 | 64 | 0 | 21.71 | 13.58 | 1.98 | 6.31 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 26546 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.53 | 0.47 | 29.40 | 2.30 | 127.97 | 2.04 | 127.20 | 64 | 12.5 | 34.38 | 3.5 | 1 | 1.75 | 1.13 | NA | NA | NA | NA | NA | 50.00 |
| 1923 | exec - npair_bin.cpp:122-122 | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.50 | 0.46 | 0.46 | 2.18 | 2.18 | 2.01 | 2.01 | 64 | NA | NA | NA | NA | NA | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 26547 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.36 | 0.33 | 0.33 | 1.58 | 1.58 | 1.42 | 1.42 | 64 | 6.9 | 23.71 | 1.75 | 1.65 | 4.8 | 1.12 | 2 | 0 | 0 | 4 | 7 | 30.77 |
| 1575 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Innermost | 0.22 | 0.20 | 0.20 | 0.98 | 0.98 | 0.89 | 0.89 | 64 | 18.18 | 29.55 | 1.5 | 1.33 | 3 | 1.1 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 8831 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.25 | 0.20 | 0.20 | 1.08 | 1.08 | 0.87 | 0.87 | 64 | 9.09 | 27.27 | 1.25 | 1.18 | 3.64 | 1.23 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 10314 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.22 | 0.20 | 0.20 | 0.94 | 0.94 | 0.85 | 0.85 | 64 | 0 | 21.88 | 2 | 1 | 4 | 1.11 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 9043 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.26 | 0.18 | 0.18 | 1.11 | 1.11 | 0.76 | 0.76 | 64 | 0 | 25 | 1.33 | 1 | 4 | 1.46 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 1759 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.17 | 0.16 | 0.16 | 0.73 | 0.73 | 0.67 | 0.67 | 64 | 0 | 25 | 1.33 | 1 | 4 | 1.09 | 0 | 0 | 2 | 8 | 0 | 55.00 |
| 20803 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Innermost | 0.12 | 0.10 | 0.10 | 0.51 | 0.51 | 0.44 | 0.44 | 64 | 0 | 14.88 | 1 | 1 | 8 | 1.16 | 1 | 0 | 0 | 0 | 12 | 7.69 |
| 1924 | 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 | 0.47 | 0.47 | 0.34 | 0.34 | 64 | 9.46 | 26.01 | 7.53 | 1 | 2.01 | 1.38 | NA | NA | NA | NA | NA | 0.00 |
| 13380 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Innermost | 0.09 | 0.07 | 0.07 | 0.38 | 0.38 | 0.32 | 0.32 | 64 | 3.28 | 22.64 | 1.67 | 1.24 | 4.8 | 1.17 | NA | NA | NA | NA | NA | 0.00 |
| 26489 | exec - pair_eam.cpp:939-944 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Outermost | 0.09 | 0.07 | 0.07 | 0.39 | 0.39 | 0.30 | 0.30 | 64 | 0 | 25 | 1.5 | 1 | 4 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
| 9012 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Innermost | 0.13 | 0.06 | 0.06 | 0.56 | 0.56 | 0.26 | 0.26 | 56 | 0 | 25 | 1.33 | 1.23 | 4 | 1.88 | 0 | 0 | 3 | 6 | 1 | 52.50 |
| 8993 | exec - atom_vec.cpp:804-811 | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.09 | 0.06 | 0.06 | 0.39 | 0.39 | 0.25 | 0.25 | 64 | 0 | 25 | 2.22 | 1 | 4.43 | 1.53 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 26498 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Innermost | 0.06 | 0.05 | 0.05 | 0.26 | 0.26 | 0.21 | 0.21 | 64 | 0 | 23.61 | 1.33 | 1.1 | 4.57 | 1.26 | 0 | 1 | 1 | 0 | 1 | 58.33 |
| 8968 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.06 | 0.04 | 0.04 | 0.26 | 0.26 | 0.17 | 0.17 | 64 | 0 | 22.5 | 2 | 1 | 4.8 | 1.5 | 0 | 3 | 2 | 7 | 0 | 66.67 |
| 20780 | exec - nbin.cpp:148-171 | LAMMPS_NS::NBin::coord2bin(double*) | Single | 0.05 | 0.04 | 0.04 | 0.23 | 0.23 | 0.16 | 0.16 | 64 | 0 | 20.98 | 2.4 | 1 | 4 | 1.47 | NA | NA | NA | NA | NA | 0.00 |
| 3021 | 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 | 1.11 | 1 | 0 | 2 | 4 | 0 | 64.29 |
| 26552 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 0.03 | 0.02 | 1.50 | 0.14 | 6.60 | 0.08 | 6.50 | 64 | 9.09 | 35.23 | 4.75 | 1 | 1.84 | 1.67 | NA | NA | NA | NA | NA | 0.00 |
| 8992 | 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 | 2.36 | 0 | 0 | 0 | 5 | 4 | 27.78 |
| 3008 | 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 | 0.12 | 0.12 | 0.07 | 0.07 | 64 | NA | NA | NA | NA | NA | 1.63 | NA | NA | NA | NA | NA | 0.00 |
| 12708 | 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 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 26551 | 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 | 1.57 | NA | NA | NA | NA | NA | 0.00 |
| 26496 | 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 | 1.99 | 0 | 0 | 4 | 0 | 0 | 75.00 |
| 1920 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.01 | 0.01 | 14.65 | 0.06 | 64.54 | 0.03 | 63.37 | 64 | 0 | 25 | 5 | 1 | 4 | 2.23 | NA | NA | NA | NA | NA | 0.00 |
| 26493 | 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 | 63 | 100 | 50 | 1 | 1 | 2 | 2.32 | 0 | 0 | 4 | 0 | 0 | 75.00 |
