| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_5 (%) | Exclusive Coverage gcc_5 (%) | Inclusive Coverage gcc_5 (%) | Max Exclusive Time Over Threads gcc_5 (s) | Max Inclusive Time Over Threads gcc_5 (s) | Exclusive Time w.r.t. Wall Time gcc_5 (s) | Inclusive Time w.r.t. Wall Time gcc_5 (s) | Nb Threads gcc_5 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_5 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 18679 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 32.19 | 37.13 | 37.13 | 42.23 | 42.23 | 47.82 | 47.82 | 192 | 6.17 | 12.6 | 1.75 | 1.66 | 13.47 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 18680 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 23.51 | 27.26 | 27.26 | 30.85 | 30.85 | 35.11 | 35.11 | 192 | 0 | 11.59 | 1.14 | 1.69 | 9.13 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 2060 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 11.05 | 12.84 | 12.84 | 14.50 | 14.50 | 16.53 | 16.53 | 192 | 0 | 10.35 | 1.77 | 1.66 | 15.72 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 2059 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 1.96 | 2.13 | 14.97 | 2.56 | 16.79 | 2.75 | 19.28 | 192 | 0 | 8.59 | 1 | 1 | 14.93 | 1.12 | NA | NA | NA | NA | NA | 0.00 |
| 12117 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.72 | 1.76 | 1.76 | 2.26 | 2.26 | 2.27 | 2.27 | 192 | 0 | 12.5 | 1.14 | 1.19 | 8 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 18673 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 1.24 | 1.27 | 28.53 | 1.62 | 32.16 | 1.63 | 36.74 | 192 | 0 | 11.64 | 1.73 | 1.73 | 13.88 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 18676 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.01 | 1.17 | 1.17 | 1.32 | 1.32 | 1.50 | 1.50 | 192 | 4.94 | 12.44 | 1.66 | 1.64 | 13.28 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 12119 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.23 | 1.15 | 1.15 | 1.61 | 1.61 | 1.48 | 1.48 | 192 | 0 | 12.5 | 1 | 1.39 | 8 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
| 8255 | exec - memory.h:53-80 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.34 | 0.33 | 0.33 | 0.44 | 0.44 | 0.42 | 0.42 | 192 | 5 | 11.41 | 2.94 | 2.15 | 12.52 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 18678 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.29 | 0.26 | 37.39 | 0.38 | 42.57 | 0.33 | 48.15 | 192 | 0 | 10.63 | 2.1 | 1 | 12 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
| 1853 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.30 | 0.25 | 0.25 | 0.40 | 0.40 | 0.33 | 0.33 | 192 | 0 | 12.5 | 1 | 1.28 | 8 | 1.45 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 18677 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.27 | 0.23 | 0.23 | 0.35 | 0.35 | 0.30 | 0.30 | 192 | 16.13 | 13.31 | 1.14 | 1.68 | 8.73 | 1.42 | 2 | 0 | 0 | 3 | 7 | 29.17 |
| 7211 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.27 | 0.21 | 0.21 | 0.36 | 0.36 | 0.27 | 0.27 | 192 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.6 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 1954 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.22 | 0.20 | 0.20 | 0.28 | 0.28 | 0.26 | 0.26 | 192 | 0 | 12.5 | 1.33 | 1 | 8 | 1.3 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 7345 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.26 | 0.18 | 0.18 | 0.34 | 0.34 | 0.23 | 0.23 | 192 | 0 | 12.5 | 1.14 | 1 | 8 | 1.73 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 8220 | exec - comm_brick.cpp:709-1517 [...] | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.14 | 0.10 | 0.10 | 0.18 | 0.18 | 0.13 | 0.13 | 192 | 5 | 10.94 | 3 | 3.11 | 13.8 | 1.61 | NA | NA | NA | NA | NA | 0.00 |
| 2057 | exec - my_page.h:51-76 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.10 | 0.07 | 15.05 | 0.13 | 16.86 | 0.10 | 19.38 | 192 | 11.36 | 17.97 | 5.54 | 1 | 1.34 | 1.67 | NA | NA | NA | NA | NA | 0.00 |
| 14588 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.09 | 0.06 | 0.06 | 0.12 | 0.12 | 0.08 | 0.08 | 192 | 0 | 7.81 | 1 | 1 | 16 | 1.74 | 1 | 0 | 0 | 4 | 0 | 60.00 |
| 7316 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.09 | 0.06 | 0.06 | 0.12 | 0.12 | 0.08 | 0.08 | 192 | 0 | 12.5 | 1.4 | 1 | 8 | 1.88 | 0 | 1 | 2 | 2 | 4 | 38.89 |
| 6134 | exec - domain_omp.cpp:57-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.0] | Single | 0.09 | 0.06 | 0.06 | 0.11 | 0.11 | 0.07 | 0.07 | 192 | 20 | 12.5 | 1 | 1 | 12.18 | 1.89 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6133 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.09 | 0.06 | 0.06 | 0.12 | 0.12 | 0.07 | 0.07 | 192 | 0 | 11.38 | 1.5 | 1.31 | 9.6 | 1.91 | NA | NA | NA | NA | NA | 0.00 |
| 18637 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.08 | 0.05 | 0.05 | 0.10 | 0.10 | 0.06 | 0.06 | 192 | 0 | 12.5 | 1 | 1 | 8 | 1.99 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7298 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.07 | 0.04 | 0.04 | 0.09 | 0.09 | 0.05 | 0.05 | 192 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.09 | 0 | 0 | 6 | 4 | 0 | 65.00 |
| 7331 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.13 | 0.04 | 0.04 | 0.17 | 0.17 | 0.05 | 0.05 | 144 | 0 | 12.5 | 1.14 | 1.28 | 8 | 3.25 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 18640 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.06 | 0.04 | 0.04 | 0.09 | 0.09 | 0.05 | 0.05 | 192 | 0 | 12.5 | 1 | 1.28 | 8 | 2.2 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 2924 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.05 | 0.03 | 0.03 | 0.06 | 0.06 | 0.04 | 0.04 | 192 | 0 | 12.5 | 1.11 | 1.1 | 8 | 1.81 | 1 | 2 | 0 | 8 | 0 | 63.64 |
| 18638 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.05 | 0.02 | 0.02 | 0.06 | 0.06 | 0.03 | 0.03 | 190 | 0 | 12.5 | 1 | 1 | 8 | 2.24 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 9663 | 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 | 189 | 0 | 11.36 | 1.13 | 1.24 | 9 | 2.26 | NA | NA | NA | NA | NA | 0.00 |
| 18639 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.04 | 0.02 | 0.02 | 0.05 | 0.05 | 0.02 | 0.02 | 184 | 0 | 12.5 | 1 | 1 | 8 | 2.88 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7315 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.04 | 0.01 | 0.01 | 0.06 | 0.06 | 0.02 | 0.02 | 134 | 0 | 12.5 | 1.4 | 1.45 | 8 | 3 | 0 | 1 | 2 | 2 | 4 | 38.89 |
| 2058 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.03 | 0.01 | 15.06 | 0.04 | 16.87 | 0.01 | 19.39 | 172 | 0 | 8.82 | 1 | 1 | 12.67 | 2.84 | NA | NA | NA | NA | NA | 0.00 |
| 18674 | 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 | 176 | 8.82 | 12.13 | 1.27 | 1.39 | 9.33 | 2.5 | NA | NA | NA | NA | NA | 0.00 |
| 14591 | 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 | 171 | 0 | 6.25 | 1 | 1 | 16 | 2.91 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 18675 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.02 | 0.01 | 1.17 | 0.03 | 1.33 | 0.01 | 1.51 | 161 | 0 | 10.63 | 1.9 | 1 | 12.16 | 2.78 | NA | NA | NA | NA | NA | 0.00 |
| 4593 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 81 | 1.92 | 7.81 | 4.24 | 1 | 15.73 | 2.41 | NA | NA | NA | NA | NA | 0.00 |
| 9834 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 77 | 0 | 10.2 | 2.33 | 2.17 | 12.49 | 2.6 | NA | NA | NA | NA | NA | 0.00 |
| 8218 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 19 | 0 | 12.5 | 1 | 1 | 8 | 2.59 | 1 | 0 | 0 | 1 | 1 | 50.00 |
