| 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 |
|---|
| 20875 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 38.89 | 41.27 | 41.27 | 41.94 | 41.94 | 38.13 | 38.13 | 256 | 521.28 | 26.15 | 15.19 | 1.4 | 1.91 | 4.78 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 20884 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 25.25 | 27.76 | 27.76 | 27.22 | 27.22 | 25.65 | 25.65 | 256 | 466.38 | 15.54 | 13.68 | 1.1 | 1.82 | 4.06 | 1.07 | 2.75 | 1 | 0 | 3 | 5 | 48.96 |
| 1060 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 11.84 | 13.16 | 13.16 | 12.77 | 12.77 | 12.16 | 12.16 | 256 | 210.54 | 17.39 | 12.5 | 2.2 | 1.96 | 10.58 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 1059 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 2.48 | 2.58 | 15.85 | 2.67 | 15.40 | 2.38 | 14.65 | 256 | 223.24 | 0 | 10 | 1 | 1 | 14 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 20877 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.17 | 1.22 | 1.22 | 1.26 | 1.26 | 1.13 | 1.13 | 256 | 454.00 | 16.13 | 13.91 | 1.35 | 1.8 | 4.94 | 1.12 | NA | NA | NA | NA | NA | 0.00 |
| 11941 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.47 | 1.22 | 1.22 | 1.58 | 1.58 | 1.13 | 1.13 | 256 | 192.67 | 0 | 12.5 | 1.14 | 1.22 | 3.76 | 1.41 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 11943 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.09 | 0.81 | 0.81 | 1.17 | 1.17 | 0.74 | 0.74 | 256 | 157.21 | 0 | 11.41 | 1.04 | 1.32 | 2.24 | 1.58 | 0.75 | 1.75 | 1.5 | 2 | 0.75 | 75.31 |
| 20883 | exec - pair_eam.cpp:181-217 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.40 | 0.35 | 28.11 | 0.44 | 27.59 | 0.32 | 25.97 | 256 | 350.82 | 8.33 | 11.98 | 3 | 1 | 11.08 | 1.36 | NA | NA | NA | NA | NA | 0.00 |
| 20874 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.38 | 0.34 | 41.61 | 0.41 | 42.21 | 0.31 | 38.44 | 256 | 381.01 | 22.22 | 13.89 | 2.8 | 1 | 12.11 | 1.34 | NA | NA | NA | NA | NA | 0.00 |
| 7437 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.27 | 0.25 | 0.25 | 0.30 | 0.30 | 0.23 | 0.23 | 256 | 0.00 | 0 | 10.94 | 1.3 | 1 | 11.27 | 1.27 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 6673 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.31 | 0.21 | 0.21 | 0.34 | 0.34 | 0.19 | 0.19 | 256 | 99.94 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.74 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 20878 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.28 | 0.21 | 0.21 | 0.30 | 0.30 | 0.19 | 0.19 | 256 | 678.67 | 0 | 10.94 | 1.04 | 1.79 | 9.64 | 1.57 | 2 | 1 | 0 | 2 | 7 | 33.33 |
| 813 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.30 | 0.18 | 0.18 | 0.32 | 0.32 | 0.17 | 0.17 | 256 | 234.37 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.95 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 6590 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.26 | 0.17 | 0.17 | 0.28 | 0.28 | 0.15 | 0.15 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.8 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 822 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.14 | 0.13 | 0.13 | 0.16 | 0.16 | 0.12 | 0.12 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.32 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 1061 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.16 | 0.12 | 0.12 | 0.18 | 0.18 | 0.11 | 0.11 | 256 | 106.81 | 12.5 | 12.3 | 1.2 | 1.81 | 10.84 | 1.64 | NA | NA | NA | NA | NA | 0.00 |
| 1058 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.13 | 0.09 | 15.95 | 0.14 | 15.53 | 0.09 | 14.73 | 256 | 349.53 | 5.56 | 9.55 | 3.11 | 1 | 13.09 | 1.64 | NA | NA | NA | NA | NA | 0.00 |
| 7433 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.11 | 0.09 | 0.09 | 0.12 | 0.12 | 0.08 | 0.08 | 256 | 0.00 | 0 | 9.17 | 2.1 | 1 | 14.44 | 1.49 | NA | NA | NA | NA | NA | 0.00 |
| 20901 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.09 | 0.06 | 0.06 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 118.91 | 0 | 12.5 | 1 | 1.41 | 8 | 1.83 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6690 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.06 | 0.06 | 0.11 | 0.11 | 0.05 | 0.05 | 256 | 0.00 | 0 | 12.5 | 1.29 | 1 | 8 | 2.06 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 15174 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.08 | 0.05 | 0.05 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 270.12 | 0 | 8.93 | 1 | 1 | 14.22 | 1.69 | 1 | 0 | 0 | 4 | 0 | 60.00 |
| 5451 | exec - domain_omp.cpp:56-57 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.07 | 0.05 | 0.05 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.00 | 66.67 | 68.75 | 1.5 | 1 | 1 | 1.73 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6726 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.08 | 0.05 | 0.05 | 0.09 | 0.09 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 2.03 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 20893 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.08 | 0.05 | 0.05 | 0.09 | 0.09 | 0.04 | 0.04 | 256 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.06 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 5449 | exec - domain_omp.cpp:71-153 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.06 | 0.04 | 0.04 | 0.06 | 0.06 | 0.04 | 0.04 | 256 | 0.24 | 13.64 | 11.93 | 1.35 | 1.61 | 10.29 | 1.68 | NA | NA | NA | NA | NA | 0.00 |
| 1918 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.05 | 0.04 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 256 | 236.63 | 0 | 12.5 | 1.17 | 1.14 | 8 | 1.55 | 1 | 2 | 0 | 4 | 0 | 71.43 |
| 6591 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.10 | 0.03 | 0.03 | 0.11 | 0.11 | 0.02 | 0.02 | 184 | 104.31 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.26 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 9123 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.02 | 0.02 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 202.77 | 100 | 75.69 | 1.01 | 1 | 1.01 | 2.33 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 6691 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.05 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 183 | 62.88 | 0 | 12.5 | 1.29 | 1 | 8 | 4.5 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 20881 | exec - pair_eam.cpp:232-248 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 1009.41 | 0 | 11.54 | 1.21 | 1.65 | 10.03 | 3.51 | 2 | 1 | 0 | 1 | 8 | 29.17 |
| 20876 | exec - pair_eam.cpp:181-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.02 | 0.01 | 1.23 | 0.03 | 1.26 | 0.01 | 1.14 | 256 | 322.47 | 22.22 | 13.89 | 2.8 | 1 | 12.11 | 3.01 | NA | NA | NA | NA | NA | 0.00 |
| 3564 | 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 | 133 | 2.76 | 0 | 7.18 | 3.14 | 1 | 15.64 | 2.28 | NA | NA | NA | NA | NA | 0.00 |
| 9457 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 1044.08 | 6.45 | 10.99 | 1.56 | 1.82 | 12.64 | 7.31 | NA | NA | NA | NA | NA | 0.00 |
| 4002 | 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 | 65 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.12 | 1.94 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6300 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 376.53 | 0 | 8.84 | 1.7 | 2 | 12.8 | 8.53 | 1 | 0 | 0 | 4 | 0 | 60.00 |
| 7432 | 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 | 45 | 0.00 | 0 | 12.5 | 1.2 | 1 | 8 | 3.33 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 7436 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.25 | 0.01 | 0.30 | 0.00 | 0.23 | 32 | 0.00 | 1.2 | 8.43 | 3.46 | 1 | 14.66 | 1.94 | NA | NA | NA | NA | NA | 0.00 |
| 6299 | exec - atom.cpp:2439-2440 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 28 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 1.93 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 7429 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 27 | 0.00 | 0 | 6.82 | 1 | 1 | 16 | 1.93 | NA | NA | NA | NA | NA | 0.00 |
| 956 | exec - neighbor.cpp:3045-3046 | LAMMPS_NS::Neighbor::get_nneigh_half() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 25 | 0.00 | 100 | 71.88 | 1 | 1 | 1 | 1.92 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 7446 | exec - comm_brick.cpp:1003-1023 [...] | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 0.00 | 0 | 8.04 | 1 | 1 | 15.26 | 1.89 | NA | NA | NA | NA | NA | 0.00 |
| 6294 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 16 | 0.00 | 6.82 | 9.52 | 1 | 1 | 13.47 | 1.88 | NA | NA | NA | NA | NA | 65.00 |
| 817 | exec - neighbor.cpp:2522-2527 | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 5 | 0.00 | 26.73 | 12.25 | 1 | 1 | 13.18 | 1.67 | 1 | 1 | 0 | 2 | 4 | 37.50 |
