| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime aocc_1 (%) | Exclusive Coverage aocc_1 (%) | Inclusive Coverage aocc_1 (%) | Max Exclusive Time Over Threads aocc_1 (s) | Max Inclusive Time Over Threads aocc_1 (s) | Exclusive Time w.r.t. Wall Time aocc_1 (s) | Inclusive Time w.r.t. Wall Time aocc_1 (s) | Nb Threads aocc_1 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing aocc_1 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 16345 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 29.49 | 32.64 | 32.64 | 42.17 | 42.17 | 46.07 | 46.07 | 192 | 16.44 | 13.96 | 1.18 | 1.69 | 8.85 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 16351 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 20.78 | 23.28 | 23.28 | 29.72 | 29.72 | 32.86 | 32.86 | 192 | 24.11 | 15.4 | 1 | 1.92 | 7.62 | 1.05 | 2 | 1 | 0 | 2.5 | 4 | 51.25 |
| 8233 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 9.61 | 10.75 | 10.75 | 13.75 | 13.75 | 15.17 | 15.17 | 192 | 19.05 | 12.8 | 2.56 | 1.84 | 10.51 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 8232 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.82 | 1.88 | 12.72 | 2.61 | 16.27 | 2.65 | 17.95 | 192 | 0 | 10 | 1 | 1 | 14.32 | 1.14 | NA | NA | NA | NA | NA | 0.00 |
| 5428 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.55 | 1.58 | 1.58 | 2.22 | 2.22 | 2.22 | 2.22 | 192 | 0 | 12.5 | 1.11 | 1.16 | 8 | 1.16 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 5430 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.12 | 1.02 | 1.02 | 1.60 | 1.60 | 1.44 | 1.44 | 192 | 0 | 12.5 | 1 | 1.29 | 8 | 1.29 | 0.5 | 2.5 | 0 | 1 | 0.5 | 87.50 |
| 2666 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.33 | 0.29 | 0.29 | 0.47 | 0.47 | 0.41 | 0.41 | 192 | 0 | 10.94 | 1.73 | 1 | 11.14 | 1.33 | 1.5 | 1 | 0 | 2 | 0.5 | 73.81 |
| 16349 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.30 | 0.25 | 23.54 | 0.43 | 30.08 | 0.36 | 33.22 | 192 | 9.09 | 11.93 | 3.8 | 1 | 10.86 | 1.37 | NA | NA | NA | NA | NA | 0.00 |
| 7990 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.28 | 0.22 | 0.22 | 0.40 | 0.40 | 0.31 | 0.31 | 192 | 44.44 | 18.06 | 1 | 1.88 | 6.4 | 1.47 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 16346 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.25 | 0.21 | 0.21 | 0.36 | 0.36 | 0.29 | 0.29 | 192 | 0 | 10.94 | 1.5 | 2 | 11.64 | 1.43 | 1 | 1 | 0 | 1 | 6 | 27.78 |
| 16344 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.26 | 0.20 | 32.83 | 0.37 | 42.40 | 0.28 | 46.35 | 192 | 18.18 | 13.07 | 2.57 | 1 | 9.6 | 1.56 | NA | NA | NA | NA | NA | 0.00 |
| 1229 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.23 | 0.18 | 0.18 | 0.33 | 0.33 | 0.26 | 0.26 | 192 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.45 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 7997 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.20 | 0.18 | 0.18 | 0.28 | 0.28 | 0.26 | 0.26 | 192 | 0 | 12.5 | 1.33 | 1 | 8 | 1.28 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 1145 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.22 | 0.16 | 0.16 | 0.31 | 0.31 | 0.23 | 0.23 | 192 | 0 | 12.5 | 1.14 | 1 | 8 | 1.62 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 8234 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.13 | 0.09 | 0.09 | 0.19 | 0.19 | 0.13 | 0.13 | 192 | 18.75 | 13.28 | 1.71 | 1.77 | 10.29 | 1.61 | NA | NA | NA | NA | NA | 0.00 |
| 2662 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.12 | 0.09 | 0.09 | 0.17 | 0.17 | 0.13 | 0.13 | 192 | 0 | 9.62 | 2.72 | 1 | 14.48 | 1.48 | NA | NA | NA | NA | NA | 0.00 |
| 8231 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.09 | 0.06 | 12.78 | 0.13 | 16.36 | 0.09 | 18.04 | 192 | 11.76 | 10.66 | 4.25 | 1 | 11.49 | 1.65 | NA | NA | NA | NA | NA | 0.00 |
| 8161 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.09 | 0.06 | 0.06 | 0.13 | 0.13 | 0.08 | 0.08 | 192 | 0 | 9.38 | 1 | 1 | 14.55 | 1.8 | 2 | 0 | 0 | 0 | 4 | 33.33 |
| 19660 | exec - domain_omp.cpp:56-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined] | Single | 0.08 | 0.05 | 0.05 | 0.12 | 0.12 | 0.07 | 0.07 | 192 | 0 | 9.38 | 1 | 1 | 13.71 | 1.79 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 1246 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.08 | 0.05 | 0.05 | 0.12 | 0.12 | 0.07 | 0.07 | 192 | 0 | 12.5 | 1.4 | 1 | 8 | 1.82 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 19661 | exec - domain_omp.cpp:71-150 | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined.3] | Single | 0.08 | 0.05 | 0.05 | 0.11 | 0.11 | 0.07 | 0.07 | 192 | 0 | 10.54 | 1.25 | 1.14 | 9.64 | 1.87 | NA | NA | NA | NA | NA | 0.00 |
| 16358 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.08 | 0.05 | 0.05 | 0.12 | 0.12 | 0.07 | 0.07 | 192 | 0 | 12.5 | 1 | 1 | 8 | 1.95 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 1284 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.07 | 0.04 | 0.04 | 0.10 | 0.10 | 0.05 | 0.05 | 192 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.23 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 16364 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.08 | 0.04 | 0.04 | 0.11 | 0.11 | 0.05 | 0.05 | 192 | 0 | 12.5 | 1 | 1.28 | 8 | 2.49 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 1146 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.10 | 0.03 | 0.03 | 0.15 | 0.15 | 0.05 | 0.05 | 144 | 0 | 12.5 | 1.14 | 1.28 | 8 | 2.88 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 9448 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.04 | 0.03 | 0.03 | 0.06 | 0.06 | 0.04 | 0.04 | 192 | 0 | 12.5 | 1.11 | 1.1 | 8 | 1.86 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 16360 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.04 | 0.02 | 0.02 | 0.06 | 0.06 | 0.03 | 0.03 | 191 | 100 | 100 | 1 | 1 | 1 | 2.58 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7147 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.01 | 0.01 | 0.04 | 0.04 | 0.02 | 0.02 | 182 | 18.75 | 14.84 | 1 | 1.43 | 7.27 | 2.09 | 0 | 2 | 0 | 0.5 | 0.5 | 85.00 |
| 1247 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.05 | 0.01 | 0.01 | 0.06 | 0.06 | 0.02 | 0.02 | 130 | 0 | 12.5 | 1.4 | 1.45 | 8 | 3.17 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 16363 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.02 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 176 | 100 | 100 | 1 | 1 | 1 | 2.91 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 8164 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.02 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 168 | 0 | 6.25 | 1 | 1 | 16 | 2.48 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 16348 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.02 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 167 | 3.34 | 12.08 | 1.5 | 1.64 | 10.6 | 2.33 | 2 | 1 | 0 | 1 | 8.5 | 28.04 |
| 12267 | 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 | 68 | 0 | 6.95 | 4.42 | 1 | 37.84 | 2.43 | NA | NA | NA | NA | NA | 0.00 |
| 1540 | exec - memory.h:190-191 | double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 72 | 0 | 12.5 | 1 | 1 | 8 | 2.6 | 1 | 1 | 0 | 0 | 0 | 100.00 |
