| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_0 (%) | Exclusive Coverage gcc_0 (%) | Inclusive Coverage gcc_0 (%) | Max Exclusive Time Over Threads gcc_0 (s) | Max Inclusive Time Over Threads gcc_0 (s) | Exclusive Time w.r.t. Wall Time gcc_0 (s) | Inclusive Time w.r.t. Wall Time gcc_0 (s) | Nb Threads gcc_0 | GFLOPS gcc_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 19371 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 40.78 | 40.32 | 40.32 | 42.54 | 42.54 | 41.16 | 41.16 | 192 | 497.40 | 6.17 | 12.6 | 1.75 | 1.63 | 13.24 | 1.03 | NA | NA | NA | NA | NA | 0.00 |
| 19372 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 29.68 | 29.54 | 29.54 | 30.96 | 30.96 | 30.16 | 30.16 | 192 | 382.90 | 0 | 11.24 | 1.08 | 1.9 | 8.65 | 1.03 | 3 | 1 | 0 | 4.25 | 3.75 | 53.13 |
| 2056 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 14.66 | 14.39 | 14.39 | 15.29 | 15.29 | 14.69 | 14.69 | 192 | 212.26 | 13.51 | 12.2 | 1.78 | 1.76 | 14.66 | 1.04 | NA | NA | NA | NA | NA | 0.00 |
| 12420 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 2.20 | 1.83 | 1.83 | 2.29 | 2.29 | 1.87 | 1.87 | 192 | 115.73 | 0 | 9.38 | 1.15 | 1.16 | 8.55 | 1.23 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 2055 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 2.01 | 1.70 | 16.09 | 2.10 | 16.83 | 1.73 | 16.42 | 192 | 216.88 | 0 | 9.82 | 1 | 1 | 14 | 1.21 | NA | NA | NA | NA | NA | 0.00 |
| 19368 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.32 | 1.24 | 1.24 | 1.38 | 1.38 | 1.26 | 1.26 | 192 | 420.18 | 4.88 | 12.44 | 1.72 | 1.63 | 13.26 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 12422 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.60 | 1.22 | 1.22 | 1.67 | 1.67 | 1.24 | 1.24 | 192 | 93.53 | 0 | 9.38 | 1 | 1.29 | 8.89 | 1.34 | 0.5 | 2.5 | 0 | 1 | 0.5 | 87.50 |
| 8400 | exec - memory.h:53-80 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.47 | 0.37 | 0.37 | 0.49 | 0.49 | 0.37 | 0.37 | 192 | 0.00 | 4 | 11.5 | 2.4 | 1.78 | 11.52 | 1.31 | NA | NA | NA | NA | NA | 0.00 |
| 19365 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.50 | 0.35 | 29.89 | 0.52 | 31.36 | 0.36 | 30.52 | 192 | 320.74 | 0 | 11.98 | 2 | 1 | 12.19 | 1.46 | NA | NA | NA | NA | NA | 0.00 |
| 19370 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.47 | 0.33 | 40.65 | 0.49 | 42.90 | 0.34 | 41.50 | 192 | 435.43 | 0 | 10.42 | 2.38 | 1 | 12.67 | 1.46 | NA | NA | NA | NA | NA | 0.00 |
| 1859 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.38 | 0.27 | 0.27 | 0.40 | 0.40 | 0.27 | 0.27 | 192 | 158.48 | 25 | 15.63 | 1.06 | 1.52 | 6.33 | 1.46 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 19369 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.38 | 0.27 | 0.27 | 0.40 | 0.40 | 0.27 | 0.27 | 192 | 419.15 | 18.75 | 13.67 | 1.09 | 1.57 | 8.73 | 1.48 | 2 | 1 | 0 | 1 | 6 | 35.00 |
| 7274 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.38 | 0.25 | 0.25 | 0.40 | 0.40 | 0.25 | 0.25 | 192 | 66.28 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.58 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1955 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.32 | 0.23 | 0.23 | 0.33 | 0.33 | 0.24 | 0.24 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.4 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 7435 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.34 | 0.21 | 0.21 | 0.35 | 0.35 | 0.21 | 0.21 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.64 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 8353 | exec - comm_brick.cpp:709-1517 [...] | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.24 | 0.15 | 0.15 | 0.25 | 0.25 | 0.15 | 0.15 | 192 | 0.00 | 5.26 | 11.18 | 3 | 2.99 | 13.63 | 1.66 | NA | NA | NA | NA | NA | 0.00 |
| 2053 | exec - my_page.h:51-76 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.16 | 0.08 | 16.16 | 0.17 | 16.90 | 0.08 | 16.50 | 192 | 298.92 | 8.93 | 16.02 | 3.42 | 1 | 1.38 | 2.2 | NA | NA | NA | NA | NA | 0.00 |
| 6180 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.13 | 0.07 | 0.07 | 0.14 | 0.14 | 0.07 | 0.07 | 192 | 0.07 | 0 | 11.16 | 1.5 | 1.27 | 9.6 | 2.03 | NA | NA | NA | NA | NA | 0.00 |
| 15014 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.12 | 0.07 | 0.07 | 0.12 | 0.12 | 0.07 | 0.07 | 192 | 129.03 | 0 | 8.93 | 1 | 1 | 14.4 | 1.8 | 1 | 0 | 0 | 1 | 3 | 30.00 |
| 19322 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.13 | 0.06 | 0.06 | 0.14 | 0.14 | 0.07 | 0.07 | 192 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.12 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7398 | exec - atom_vec.cpp:804-810 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.15 | 0.06 | 0.06 | 0.16 | 0.16 | 0.06 | 0.06 | 189 | 0.00 | 18.18 | 12.5 | 1.18 | 1 | 9.04 | 2.5 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 19327 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.12 | 0.05 | 0.05 | 0.13 | 0.13 | 0.05 | 0.05 | 192 | 101.57 | 0 | 12.5 | 1 | 1.28 | 8 | 2.51 | 0 | 2 | 0 | 1 | 0 | 83.33 |
| 7375 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.11 | 0.05 | 0.05 | 0.11 | 0.11 | 0.05 | 0.05 | 189 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.35 | 0 | 4 | 2 | 1 | 0 | 85.71 |
| 7416 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.17 | 0.04 | 0.04 | 0.18 | 0.18 | 0.04 | 0.04 | 144 | 54.70 | 0 | 12.5 | 1.14 | 1.28 | 8 | 3.2 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 2920 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.09 | 0.04 | 0.04 | 0.09 | 0.09 | 0.04 | 0.04 | 192 | 201.57 | 0 | 12.5 | 1.11 | 1.1 | 8 | 2.47 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 19324 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.08 | 0.03 | 0.03 | 0.08 | 0.08 | 0.03 | 0.03 | 175 | 0.00 | 100 | 100 | 1 | 1 | 1 | 2.78 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 9881 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.06 | 0.02 | 0.02 | 0.06 | 0.06 | 0.02 | 0.02 | 192 | 179.47 | 0 | 9.38 | 1.08 | 1.25 | 9.45 | 3.11 | 0.5 | 2 | 0 | 0.5 | 0.5 | 87.50 |
| 7397 | exec - atom_vec.cpp:823-829 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.09 | 0.01 | 0.01 | 0.09 | 0.09 | 0.01 | 0.01 | 131 | 36.76 | 18.18 | 12.5 | 1.18 | 1.25 | 9.04 | 4.17 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 19326 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.06 | 0.01 | 0.01 | 0.06 | 0.06 | 0.01 | 0.01 | 131 | 3.47 | 100 | 100 | 1 | 1 | 1 | 3.56 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 15017 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.04 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 136 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.48 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 19366 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.04 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 192 | 708.92 | 8.57 | 12.14 | 1.22 | 1.39 | 9.33 | 4.11 | NA | NA | NA | NA | NA | 0.00 |
| 19367 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.04 | 0.01 | 1.25 | 0.04 | 1.38 | 0.01 | 1.27 | 191 | 361.33 | 0 | 10.63 | 2.38 | 1 | 12.16 | 5.06 | NA | NA | NA | NA | NA | 0.00 |
| 2054 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.05 | 0.01 | 16.17 | 0.05 | 16.90 | 0.01 | 16.50 | 186 | 326.34 | 0 | 8.85 | 1 | 1 | 13.82 | 8.94 | NA | NA | NA | NA | NA | 0.00 |
| 10056 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 187 | 485.21 | 0 | 9.8 | 2.31 | 1.85 | 12.2 | 7.48 | NA | NA | NA | NA | NA | 0.00 |
| 4600 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 51 | 7.67 | 0.96 | 7.15 | 4.32 | 1 | 15.73 | 2.04 | NA | NA | NA | NA | NA | 0.00 |
| 8351 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 18 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.89 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 1960 | exec - neighbor.cpp:3045-3046 | LAMMPS_NS::Neighbor::get_nneigh_half() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 14 | 0.00 | 100 | 78.57 | 1 | 1 | 1.05 | 1.87 | 0 | 1 | 0 | 0 | 1 | 50.00 |
