| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime orig_0 (%) | Exclusive Coverage orig_0 (%) | Inclusive Coverage orig_0 (%) | Max Exclusive Time Over Threads orig_0 (s) | Max Inclusive Time Over Threads orig_0 (s) | Exclusive Time w.r.t. Wall Time orig_0 (s) | Inclusive Time w.r.t. Wall Time orig_0 (s) | Nb Threads orig_0 | GFLOPS orig_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing orig_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 21727 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 31.07 | 34.15 | 34.15 | 42.33 | 42.33 | 41.71 | 41.71 | 256 | 474.85 | 18.03 | 14.14 | 1.4 | 1.8 | 4.94 | 1.12 | NA | NA | NA | NA | NA | 0.00 |
| 21745 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 20.28 | 23.06 | 23.06 | 27.64 | 27.64 | 28.17 | 28.17 | 256 | 424.18 | 19.06 | 14.41 | 1.09 | 1.85 | 4.03 | 1.09 | 2.75 | 1 | 0 | 3 | 5 | 48.96 |
| 1086 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 9.91 | 11.25 | 11.25 | 13.51 | 13.51 | 13.75 | 13.75 | 256 | 187.53 | 0 | 10.23 | 2.1 | 1.8 | 11.73 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 1085 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.97 | 2.13 | 13.48 | 2.68 | 16.11 | 2.60 | 16.47 | 256 | 196.35 | 0 | 10 | 1 | 1 | 14 | 1.14 | NA | NA | NA | NA | NA | 0.00 |
| 21729 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.96 | 1.02 | 1.02 | 1.31 | 1.31 | 1.24 | 1.24 | 256 | 406.26 | 16.39 | 13.93 | 1.35 | 1.8 | 4.94 | 1.17 | NA | NA | NA | NA | NA | 0.00 |
| 11683 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.11 | 0.93 | 0.93 | 1.51 | 1.51 | 1.14 | 1.14 | 256 | 190.54 | 0 | 12.5 | 1.14 | 1.22 | 3.76 | 1.47 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 11685 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 0.83 | 0.63 | 0.63 | 1.12 | 1.12 | 0.77 | 0.77 | 256 | 152.26 | 0 | 11.41 | 1.04 | 1.32 | 2.24 | 1.62 | 0.75 | 1.75 | 1.5 | 2 | 0.75 | 75.31 |
| 21726 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.37 | 0.35 | 34.50 | 0.50 | 42.75 | 0.43 | 42.14 | 256 | 372.78 | 16.67 | 13.02 | 2.8 | 1 | 10.93 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
| 21744 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.31 | 0.29 | 23.35 | 0.43 | 27.98 | 0.35 | 28.52 | 256 | 300.84 | 8.33 | 11.46 | 3.6 | 1 | 11.08 | 1.33 | NA | NA | NA | NA | NA | 0.00 |
| 7329 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.20 | 0.17 | 0.17 | 0.27 | 0.27 | 0.21 | 0.21 | 256 | 0.00 | 0 | 10.94 | 1.3 | 1 | 11.27 | 1.42 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 21730 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.22 | 0.17 | 0.17 | 0.31 | 0.31 | 0.21 | 0.21 | 256 | 631.25 | 0 | 10.94 | 1.11 | 1.9 | 10.26 | 1.63 | 2 | 1 | 0 | 2 | 7 | 33.33 |
| 6570 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.23 | 0.16 | 0.16 | 0.31 | 0.31 | 0.20 | 0.20 | 256 | 97.05 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.7 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 846 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.22 | 0.14 | 0.14 | 0.30 | 0.30 | 0.17 | 0.17 | 256 | 230.20 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.95 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 6495 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.21 | 0.13 | 0.13 | 0.28 | 0.28 | 0.16 | 0.16 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.96 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 1087 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.12 | 0.09 | 0.09 | 0.17 | 0.17 | 0.12 | 0.12 | 256 | 103.37 | 0 | 10.69 | 1.31 | 1.75 | 11.85 | 1.62 | NA | NA | NA | NA | NA | 0.00 |
| 855 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.11 | 0.09 | 0.09 | 0.16 | 0.16 | 0.10 | 0.10 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.64 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 1084 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.10 | 0.07 | 13.55 | 0.14 | 16.20 | 0.09 | 16.56 | 256 | 305.97 | 0 | 8.85 | 3.19 | 1 | 13.69 | 1.76 | NA | NA | NA | NA | NA | 0.00 |
| 7325 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.11 | 0.07 | 0.07 | 0.14 | 0.14 | 0.09 | 0.09 | 256 | 0.00 | 0 | 9.38 | 2.33 | 1 | 13.96 | 1.83 | NA | NA | NA | NA | NA | 0.00 |
| 21762 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.08 | 0.05 | 0.05 | 0.12 | 0.12 | 0.06 | 0.06 | 256 | 105.99 | 0 | 12.5 | 1 | 1.41 | 8 | 2.07 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 5424 | exec - domain_omp.cpp:69-150 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.07 | 0.05 | 0.05 | 0.09 | 0.09 | 0.06 | 0.06 | 256 | 0.14 | 13.64 | 11.93 | 1.35 | 1.61 | 10.29 | 1.79 | NA | NA | NA | NA | NA | 0.00 |
| 14892 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.07 | 0.04 | 0.04 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 154.13 | 0 | 8.59 | 1 | 1 | 14.22 | 1.95 | 1 | 0 | 0 | 1 | 3 | 30.00 |
| 21754 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.07 | 0.04 | 0.04 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.17 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6585 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.06 | 0.04 | 0.04 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.00 | 0 | 12.5 | 2.07 | 1 | 8 | 2.01 | 1 | 1 | 12 | 2 | 4 | 60.00 |
| 6617 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.06 | 0.03 | 0.03 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 2.24 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 1904 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.04 | 0.03 | 0.03 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 248.52 | 0 | 12.5 | 1.17 | 1.14 | 8 | 1.99 | 1 | 2 | 0 | 4 | 0 | 71.43 |
| 6496 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.07 | 0.02 | 0.02 | 0.09 | 0.09 | 0.02 | 0.02 | 184 | 102.44 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.08 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 8958 | exec - compute_temp.cpp:85-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.01 | 0.01 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 179.74 | 100 | 76.07 | 1.01 | 1 | 1.01 | 2.59 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 21728 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.03 | 0.01 | 1.03 | 0.04 | 1.33 | 0.01 | 1.25 | 256 | 271.16 | 20 | 13.13 | 2.8 | 1 | 11.79 | 3.89 | NA | NA | NA | NA | NA | 0.00 |
| 21736 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.02 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 857.05 | 0 | 11.85 | 1.26 | 1.72 | 10.45 | 3.37 | 2 | 1 | 0 | 1 | 8 | 29.17 |
| 6586 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.03 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 184 | 69.77 | 0 | 12.5 | 2.07 | 1.61 | 8 | 3.84 | 1 | 1 | 12 | 2 | 4 | 60.00 |
| 3568 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 110 | 0.61 | 1.15 | 7.33 | 3.2 | 1 | 15.71 | 2.89 | NA | NA | NA | NA | NA | 0.00 |
