| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime icx_9 (%) | Exclusive Coverage icx_9 (%) | Inclusive Coverage icx_9 (%) | Max Exclusive Time Over Threads icx_9 (s) | Max Inclusive Time Over Threads icx_9 (s) | Exclusive Time w.r.t. Wall Time icx_9 (s) | Inclusive Time w.r.t. Wall Time icx_9 (s) | Nb Threads icx_9 | GFLOPS icx_9 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing icx_9 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 21269 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 32.10 | 34.84 | 34.84 | 43.02 | 43.02 | 41.88 | 41.88 | 256 | 473.33 | 17.74 | 14.11 | 1.4 | 1.8 | 4.94 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 21287 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 20.76 | 23.31 | 23.31 | 27.82 | 27.82 | 28.02 | 28.02 | 256 | 426.85 | 17.42 | 14.23 | 1.09 | 1.84 | 4.01 | 1.09 | 2.75 | 1 | 0 | 3 | 5 | 48.96 |
| 991 | exec - npair_bin.cpp:115-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 10.39 | 11.78 | 11.78 | 13.92 | 13.92 | 14.16 | 14.16 | 256 | 187.32 | 0 | 10.8 | 1.19 | 1.89 | 11.73 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 990 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.95 | 2.01 | 13.79 | 2.61 | 16.34 | 2.42 | 16.58 | 256 | 187.38 | 0 | 10.42 | 1 | 1 | 14.4 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 21271 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.97 | 1.03 | 1.03 | 1.30 | 1.30 | 1.24 | 1.24 | 256 | 413.53 | 16.13 | 13.91 | 1.35 | 1.8 | 4.94 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 11821 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.16 | 0.94 | 0.94 | 1.55 | 1.55 | 1.14 | 1.14 | 256 | 191.12 | 0 | 12.5 | 1.14 | 1.22 | 3.76 | 1.5 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 11823 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 0.87 | 0.63 | 0.63 | 1.16 | 1.16 | 0.76 | 0.76 | 256 | 153.53 | 0 | 11.41 | 1.04 | 1.32 | 2.24 | 1.69 | 0.75 | 1.75 | 1.5 | 2 | 0.75 | 75.31 |
| 21268 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.39 | 0.34 | 35.18 | 0.52 | 43.45 | 0.41 | 42.30 | 256 | 390.01 | 16.67 | 13.02 | 2.8 | 1 | 11.2 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
| 21286 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.32 | 0.29 | 23.59 | 0.44 | 28.20 | 0.34 | 28.37 | 256 | 307.70 | 8.33 | 11.46 | 3.6 | 1 | 11.08 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
| 7035 | 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 | 1.43 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 21272 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.20 | 0.17 | 0.17 | 0.27 | 0.27 | 0.21 | 0.21 | 256 | 635.99 | 0 | 10.94 | 1.11 | 1.9 | 10.26 | 1.45 | 2 | 1 | 0 | 2 | 7 | 33.33 |
| 6308 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.24 | 0.17 | 0.17 | 0.32 | 0.32 | 0.20 | 0.20 | 256 | 96.42 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.74 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 771 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.22 | 0.14 | 0.14 | 0.29 | 0.29 | 0.17 | 0.17 | 256 | 226.66 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.88 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 6218 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.22 | 0.13 | 0.13 | 0.29 | 0.29 | 0.16 | 0.16 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 2 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 779 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.13 | 0.09 | 0.09 | 0.17 | 0.17 | 0.10 | 0.10 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.83 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 989 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.10 | 0.07 | 13.86 | 0.14 | 16.41 | 0.09 | 16.67 | 256 | 295.04 | 0 | 9.01 | 3.78 | 1 | 13.58 | 1.74 | NA | NA | NA | NA | NA | 0.00 |
| 7032 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.09 | 0.07 | 0.07 | 0.12 | 0.12 | 0.08 | 0.08 | 256 | 0.00 | 0 | 9.38 | 2.33 | 1 | 13.96 | 1.62 | NA | NA | NA | NA | NA | 0.00 |
| 21305 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.09 | 0.05 | 0.05 | 0.12 | 0.12 | 0.06 | 0.06 | 256 | 110.74 | 0 | 12.5 | 1 | 1.41 | 8 | 2.23 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 15225 | 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 | 197.28 | 0 | 8.59 | 1 | 1 | 14.22 | 2.1 | 1 | 0 | 0 | 1 | 3 | 30.00 |
| 5214 | exec - domain_omp.cpp:54-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.07 | 0.04 | 0.04 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 0.00 | 80 | 41.25 | 1 | 1 | 2 | 2.2 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6326 | 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 | 1.29 | 1 | 8 | 2.05 | 0 | 2 | 0 | 2 | 4 | 37.50 |
| 21296 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(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 | 1 | 1 | 8 | 2.05 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 5212 | exec - domain_omp.cpp:69-150 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.06 | 0.03 | 0.03 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.19 | 10.71 | 10.71 | 1.9 | 1.52 | 10.71 | 2.06 | NA | NA | NA | NA | NA | 0.00 |
| 6364 | 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 | 2.39 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 1805 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.04 | 0.03 | 0.03 | 0.05 | 0.05 | 0.03 | 0.03 | 256 | 227.33 | 0 | 12.5 | 1.17 | 1.14 | 8 | 1.8 | 1 | 2 | 0 | 4 | 0 | 71.43 |
| 6219 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.09 | 0.02 | 0.02 | 0.12 | 0.12 | 0.03 | 0.03 | 184 | 93.87 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.58 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 21270 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.04 | 0.01 | 1.05 | 0.05 | 1.32 | 0.02 | 1.26 | 256 | 159.82 | 20 | 13.13 | 2.8 | 1 | 12.11 | 3.08 | NA | NA | NA | NA | NA | 0.00 |
| 8873 | 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 | 236.44 | 100 | 42.82 | 1.16 | 1.19 | 2.42 | 2.56 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 21278 | 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 | 1007.94 | 0 | 11.83 | 1.23 | 1.7 | 10.24 | 3.3 | 2 | 1 | 0 | 1 | 8 | 29.17 |
| 6327 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.04 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 183 | 66.92 | 0 | 12.5 | 1.29 | 1 | 8 | 5.56 | 0 | 2 | 0 | 2 | 4 | 37.50 |
| 3315 | 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 | 120 | 1.61 | 0 | 7.18 | 3.14 | 1 | 15.64 | 3.02 | NA | NA | NA | NA | NA | 0.00 |
