| 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 |
|---|
| 19071 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 21.01 | 23.59 | 23.59 | 45.46 | 45.46 | 48.17 | 48.17 | 256 | 446.82 | 30.48 | 15.79 | 1.23 | 2.12 | 6.39 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 19072 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 14.71 | 16.88 | 16.88 | 31.82 | 31.82 | 34.46 | 34.46 | 256 | 364.68 | 22.6 | 14.63 | 1.16 | 2.17 | 5.56 | 1.09 | 1.75 | 1 | 0 | 3.5 | 5.75 | 42.19 |
| 1968 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 6.24 | 7.20 | 7.20 | 13.50 | 13.50 | 14.70 | 14.70 | 256 | 192.51 | 19.51 | 13.15 | 1.5 | 2.1 | 14.93 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 1967 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.26 | 1.33 | 8.53 | 2.73 | 15.97 | 2.72 | 17.42 | 256 | 242.65 | 0 | 9.38 | 1 | 1 | 14.15 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
| 19068 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.64 | 0.69 | 0.69 | 1.39 | 1.39 | 1.41 | 1.41 | 256 | 356.01 | 29.25 | 15.64 | 1.21 | 2.08 | 6.43 | 1.16 | NA | NA | NA | NA | NA | 0.00 |
| 12235 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 0.70 | 0.56 | 0.56 | 1.50 | 1.50 | 1.15 | 1.15 | 256 | 189.25 | 0 | 9.38 | 1.14 | 1.22 | 3.88 | 1.54 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 12237 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 0.48 | 0.38 | 0.38 | 1.04 | 1.04 | 0.78 | 0.78 | 256 | 149.80 | 0 | 9.38 | 1 | 1.3 | 2.42 | 1.57 | 0.5 | 2.5 | 0 | 1 | 0.5 | 87.50 |
| 19065 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.22 | 0.22 | 17.09 | 0.49 | 32.27 | 0.45 | 34.91 | 256 | 291.91 | 0 | 11.61 | 2 | 1 | 13.18 | 1.28 | NA | NA | NA | NA | NA | 0.00 |
| 19070 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.24 | 0.20 | 23.78 | 0.52 | 45.85 | 0.40 | 48.57 | 256 | 349.03 | 26.67 | 14.58 | 2.18 | 1 | 12.94 | 1.52 | NA | NA | NA | NA | NA | 0.00 |
| 8247 | exec - memory.h:53-80 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.13 | 0.12 | 0.12 | 0.28 | 0.28 | 0.25 | 0.25 | 256 | 0.00 | 3.57 | 11.61 | 2.74 | 2.17 | 12.36 | 1.33 | NA | NA | NA | NA | NA | 0.00 |
| 19069 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.14 | 0.11 | 0.11 | 0.29 | 0.29 | 0.23 | 0.23 | 256 | 562.61 | 5.88 | 12.13 | 1.21 | 2.04 | 9.67 | 1.5 | 1 | 1 | 0 | 1 | 6 | 27.78 |
| 7128 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.16 | 0.11 | 0.11 | 0.35 | 0.35 | 0.22 | 0.22 | 256 | 86.76 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.83 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1769 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.14 | 0.09 | 0.09 | 0.30 | 0.30 | 0.19 | 0.19 | 256 | 232.99 | 28.57 | 16.07 | 1 | 1.33 | 7.11 | 1.86 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 7294 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.13 | 0.09 | 0.09 | 0.28 | 0.28 | 0.17 | 0.17 | 256 | 0.00 | 0 | 12.5 | 1.22 | 1 | 8 | 1.85 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1865 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.08 | 0.06 | 0.06 | 0.17 | 0.17 | 0.12 | 0.12 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.69 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 8200 | exec - comm_brick.cpp:709-1517 [...] | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.07 | 0.05 | 0.05 | 0.14 | 0.14 | 0.10 | 0.10 | 256 | 0.00 | 4.76 | 11.61 | 2.6 | 2.94 | 13.57 | 1.79 | NA | NA | NA | NA | NA | 0.00 |
| 1965 | exec - my_page.h:51-76 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.08 | 0.05 | 8.58 | 0.17 | 16.13 | 0.09 | 17.52 | 256 | 307.94 | 20.55 | 12.33 | 3.35 | 1 | 10.8 | 2.05 | NA | NA | NA | NA | NA | 0.00 |
| 19027 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.05 | 0.03 | 0.03 | 0.11 | 0.11 | 0.06 | 0.06 | 256 | 100.62 | 0 | 12.5 | 1.17 | 1.65 | 8 | 2.1 | 0 | 2 | 0 | 1 | 0 | 83.33 |
| 7254 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.06 | 0.03 | 0.03 | 0.13 | 0.13 | 0.06 | 0.06 | 256 | 0.00 | 35.71 | 14.29 | 1.18 | 1 | 8.89 | 2.35 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 6047 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.05 | 0.03 | 0.03 | 0.10 | 0.10 | 0.06 | 0.06 | 256 | 0.12 | 14.63 | 12.8 | 1.97 | 1.86 | 10.73 | 1.94 | NA | NA | NA | NA | NA | 0.00 |
| 14775 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.04 | 0.03 | 0.03 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 133.60 | 0 | 8.93 | 1 | 1 | 14.12 | 2.08 | 1 | 0 | 0 | 1 | 0 | 75.00 |
| 19022 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.04 | 0.02 | 0.02 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.11 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7231 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.04 | 0.02 | 0.02 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 2.17 | 0 | 4 | 2 | 1 | 0 | 85.71 |
| 2830 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.03 | 0.02 | 0.02 | 0.06 | 0.06 | 0.04 | 0.04 | 256 | 196.21 | 0 | 12.5 | 1 | 1.47 | 8 | 1.81 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 19024 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.03 | 0.02 | 0.02 | 0.07 | 0.07 | 0.04 | 0.04 | 256 | 0.00 | 100 | 25 | 1 | 1 | 4 | 2.02 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7274 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.07 | 0.01 | 0.01 | 0.16 | 0.16 | 0.03 | 0.03 | 184 | 88.82 | 0 | 12.5 | 1.17 | 1.56 | 8 | 4.81 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 19026 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.03 | 0.01 | 0.01 | 0.06 | 0.06 | 0.03 | 0.03 | 254 | 0.17 | 100 | 25 | 1 | 1 | 4 | 2.79 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 9676 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.02 | 0.01 | 0.01 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 235.20 | 12.5 | 10.94 | 1.04 | 1.39 | 7.41 | 2.74 | 0.5 | 2 | 0 | 0.5 | 0.5 | 87.50 |
| 1966 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.01 | 0.01 | 8.59 | 0.03 | 16.16 | 0.01 | 17.53 | 256 | 213.47 | 0 | 8.59 | 1 | 1 | 13.89 | 2.68 | NA | NA | NA | NA | NA | 0.00 |
| 7253 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.03 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 184 | 46.13 | 29.41 | 13.97 | 1.15 | 1.53 | 9.14 | 4.23 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 19067 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.01 | 0.01 | 0.70 | 0.03 | 1.40 | 0.01 | 1.43 | 256 | 301.03 | 26.67 | 14.58 | 2.18 | 1 | 12.94 | 3.32 | NA | NA | NA | NA | NA | 0.00 |
| 19066 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.01 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 695.82 | 2.56 | 11.86 | 1.16 | 2.1 | 9.26 | 3.35 | NA | NA | NA | NA | NA | 0.00 |
