| 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 |
|---|
| 16401 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 43.05 | 42.24 | 42.24 | 44.29 | 44.29 | 42.82 | 42.82 | 192 | 552.88 | 20.78 | 14.53 | 1.14 | 1.69 | 8.59 | 1.04 | NA | NA | NA | NA | NA | 0.00 |
| 16407 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 28.75 | 28.41 | 28.41 | 29.58 | 29.58 | 28.80 | 28.80 | 192 | 402.60 | 26.98 | 15.76 | 1 | 1.92 | 7.62 | 1.03 | 2 | 1 | 0 | 2.5 | 4 | 51.25 |
| 8247 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 13.83 | 13.51 | 13.51 | 14.23 | 14.23 | 13.70 | 13.70 | 192 | 186.92 | 20 | 12.81 | 2.71 | 1.84 | 10.51 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 8246 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 3.04 | 2.71 | 16.34 | 3.13 | 16.83 | 2.75 | 16.57 | 192 | 188.52 | 0 | 10 | 1 | 1 | 14.32 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 5444 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 2.33 | 1.84 | 1.84 | 2.40 | 2.40 | 1.86 | 1.86 | 192 | 116.20 | 0 | 12.5 | 1.11 | 1.16 | 8 | 1.3 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 5446 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.73 | 1.22 | 1.22 | 1.78 | 1.78 | 1.24 | 1.24 | 192 | 94.30 | 0 | 12.5 | 1 | 1.29 | 8 | 1.44 | 0.5 | 2.5 | 0 | 1 | 0.5 | 87.50 |
| 16400 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.58 | 0.37 | 42.61 | 0.60 | 44.71 | 0.38 | 43.20 | 192 | 339.88 | 18.18 | 13.07 | 2.57 | 1 | 9.6 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 2670 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.52 | 0.35 | 0.35 | 0.53 | 0.53 | 0.35 | 0.35 | 192 | 0.00 | 0 | 10.94 | 1.76 | 1 | 11.09 | 1.51 | 1.5 | 1 | 0 | 2 | 0.5 | 73.81 |
| 8008 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.42 | 0.27 | 0.27 | 0.43 | 0.43 | 0.28 | 0.28 | 192 | 139.79 | 44.44 | 18.06 | 1 | 1.88 | 6.4 | 1.55 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 1231 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.43 | 0.26 | 0.26 | 0.44 | 0.44 | 0.26 | 0.26 | 192 | 61.47 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.69 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 16402 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.41 | 0.25 | 0.25 | 0.42 | 0.42 | 0.26 | 0.26 | 192 | 442.80 | 0 | 10.94 | 1.5 | 2 | 11.64 | 1.64 | 1 | 1 | 0 | 1 | 6 | 27.78 |
| 16405 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.38 | 0.25 | 28.66 | 0.39 | 29.81 | 0.25 | 29.05 | 192 | 365.33 | 9.09 | 11.93 | 3.8 | 1 | 10.86 | 1.57 | NA | NA | NA | NA | NA | 0.00 |
| 8015 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.34 | 0.23 | 0.23 | 0.35 | 0.35 | 0.24 | 0.24 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.49 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 1147 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.35 | 0.21 | 0.21 | 0.36 | 0.36 | 0.21 | 0.21 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.73 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 2666 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.25 | 0.15 | 0.15 | 0.26 | 0.26 | 0.15 | 0.15 | 192 | 0.00 | 0 | 9.62 | 2.72 | 1 | 14.48 | 1.77 | NA | NA | NA | NA | NA | 0.00 |
| 8248 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.26 | 0.11 | 0.11 | 0.27 | 0.27 | 0.12 | 0.12 | 192 | 243.50 | 19.35 | 13.31 | 1.76 | 1.7 | 9.93 | 2.34 | NA | NA | NA | NA | NA | 0.00 |
| 8245 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.19 | 0.09 | 16.43 | 0.20 | 16.91 | 0.09 | 16.65 | 192 | 246.26 | 11.76 | 10.66 | 4.25 | 1 | 11.49 | 2.3 | NA | NA | NA | NA | NA | 0.00 |
| 8177 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.17 | 0.08 | 0.08 | 0.18 | 0.18 | 0.08 | 0.08 | 192 | 123.36 | 0 | 9.38 | 1 | 1 | 14.55 | 2.34 | 2 | 0 | 0 | 0 | 4 | 33.33 |
| 19747 | exec - domain_omp.cpp:71-150 | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined.3] | Single | 0.15 | 0.07 | 0.07 | 0.15 | 0.15 | 0.07 | 0.07 | 191 | 0.10 | 0 | 10.48 | 1.25 | 1.14 | 9.64 | 2.08 | NA | NA | NA | NA | NA | 0.00 |
| 1248 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.15 | 0.07 | 0.07 | 0.15 | 0.15 | 0.07 | 0.07 | 192 | 0.00 | 0 | 12.5 | 1.4 | 1 | 8 | 2.27 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 16416 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.13 | 0.06 | 0.06 | 0.13 | 0.13 | 0.07 | 0.07 | 192 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 16422 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.11 | 0.05 | 0.05 | 0.11 | 0.11 | 0.05 | 0.05 | 192 | 111.37 | 0 | 12.5 | 1 | 1.28 | 8 | 2.29 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 1286 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.10 | 0.05 | 0.05 | 0.10 | 0.10 | 0.05 | 0.05 | 192 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.12 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 1148 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.16 | 0.04 | 0.04 | 0.16 | 0.16 | 0.04 | 0.04 | 144 | 56.81 | 0 | 12.5 | 1.14 | 1.28 | 8 | 2.73 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 9469 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.09 | 0.03 | 0.03 | 0.09 | 0.09 | 0.03 | 0.03 | 192 | 205.41 | 0 | 12.5 | 1.11 | 1.1 | 8 | 2.61 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 16418 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.08 | 0.02 | 0.02 | 0.08 | 0.08 | 0.02 | 0.02 | 170 | 0.00 | 100 | 100 | 1 | 1 | 1 | 2.86 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7163 | 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 | 184.18 | 18.75 | 14.84 | 1 | 1.43 | 7.27 | 3.19 | 0 | 2 | 0 | 0.5 | 0.5 | 85.00 |
| 1249 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.02 | 0.02 | 0.10 | 0.10 | 0.02 | 0.02 | 135 | 34.48 | 0 | 12.5 | 1.4 | 1.45 | 8 | 4.46 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 16421 | 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 | 139 | 3.19 | 100 | 100 | 1 | 1 | 1 | 3.49 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 19746 | exec - domain_omp.cpp:56-56 | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined] | Single | 0.05 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 125 | 0.00 | NA | NA | 1 | NA | NA | 3.05 | NA | NA | NA | NA | NA | 0.00 |
| 16404 | 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 | 766.46 | 3.34 | 12.08 | 1.5 | 1.64 | 10.6 | 3.75 | 2 | 1 | 0 | 1 | 8.5 | 28.04 |
| 8180 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.05 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 115 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 3.29 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 12320 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 43 | 7.59 | 1.04 | 7.08 | 4.5 | 1 | 38.32 | 1.95 | NA | NA | NA | NA | NA | 0.00 |
| 1869 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 175 | 463.34 | 6.56 | 10.86 | 2.67 | 1.78 | 11.91 | 8.33 | NA | NA | NA | NA | NA | 0.00 |
| 1542 | exec - memory.h:190-191 | double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 33 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.94 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 948 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 142 | 294.44 | 0 | 8.84 | 2.21 | 2.01 | 12.75 | 9.79 | 1 | 0 | 0 | 3 | 1 | 50.00 |
| 2665 | 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 | 16 | 0.00 | 0 | 12.5 | 1.53 | 1 | 8 | 1.88 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
