| 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 | GFLOPS 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 |
|---|
| 18654 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 38.65 | 40.76 | 40.76 | 41.38 | 41.38 | 38.77 | 38.77 | 256 | 539.60 | 6.1 | 12.6 | 1.37 | 1.74 | 5.65 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 18655 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 27.29 | 29.23 | 29.23 | 29.22 | 29.22 | 27.80 | 27.80 | 256 | 421.55 | 0 | 11.57 | 1.31 | 1.76 | 5.11 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 2059 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 12.30 | 13.14 | 13.14 | 13.16 | 13.16 | 12.50 | 12.50 | 256 | 215.39 | 0 | 10.71 | 1.28 | 2.14 | 17.11 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 2058 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 2.13 | 2.03 | 15.17 | 2.28 | 15.14 | 1.94 | 14.43 | 256 | 213.44 | 0 | 9.03 | 1 | 1 | 14.29 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
| 18648 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 1.60 | 1.55 | 30.77 | 1.71 | 30.65 | 1.47 | 29.27 | 256 | 240.66 | 0 | 11.5 | 1.89 | 1.92 | 7.56 | 1.17 | NA | NA | NA | NA | NA | 0.00 |
| 18651 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.20 | 1.26 | 1.26 | 1.28 | 1.28 | 1.20 | 1.20 | 256 | 465.05 | 4.88 | 12.44 | 1.3 | 1.78 | 5.65 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 12086 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.53 | 1.25 | 1.25 | 1.64 | 1.64 | 1.19 | 1.19 | 256 | 182.71 | 0 | 12.5 | 1.18 | 1.26 | 3.5 | 1.38 | NA | NA | NA | NA | NA | 0.00 |
| 12088 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.12 | 0.81 | 0.81 | 1.19 | 1.19 | 0.77 | 0.77 | 256 | 151.33 | 0 | 12.5 | 1 | 1.41 | 2 | 1.55 | NA | NA | NA | NA | NA | 0.00 |
| 18653 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.82 | 0.74 | 41.50 | 0.88 | 42.20 | 0.70 | 39.48 | 256 | 212.65 | 0 | 10.42 | 1.81 | 1 | 13.33 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 8244 | exec - memory.h:53-80 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.27 | 0.24 | 0.24 | 0.29 | 0.29 | 0.23 | 0.23 | 256 | 0.00 | 4.35 | 11.55 | 2.7 | 2.14 | 12.84 | 1.26 | NA | NA | NA | NA | NA | 0.00 |
| 18652 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.29 | 0.22 | 0.22 | 0.31 | 0.31 | 0.21 | 0.21 | 256 | 627.93 | 16.13 | 13.31 | 1 | 1.6 | 7.64 | 1.49 | 2 | 0 | 0 | 3 | 7 | 29.17 |
| 7197 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.31 | 0.20 | 0.20 | 0.33 | 0.33 | 0.19 | 0.19 | 256 | 101.65 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.75 | 0 | 0 | 4 | 4 | 1 | 55.56 |
| 1851 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.32 | 0.19 | 0.19 | 0.34 | 0.34 | 0.18 | 0.18 | 256 | 213.61 | 0 | 12.5 | 1 | 1.44 | 8 | 1.87 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 7334 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.30 | 0.17 | 0.17 | 0.32 | 0.32 | 0.16 | 0.16 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 2.05 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 1953 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.17 | 0.13 | 0.13 | 0.19 | 0.19 | 0.12 | 0.12 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.53 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 2056 | exec - my_page.h:51-76 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.13 | 0.08 | 15.25 | 0.14 | 15.22 | 0.08 | 14.51 | 256 | 315.25 | 16.67 | 14.58 | 5.24 | 1 | 10.67 | 1.84 | NA | NA | NA | NA | NA | 0.00 |
| 8209 | exec - comm_brick.cpp:709-1517 [...] | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.13 | 0.08 | 0.08 | 0.13 | 0.13 | 0.07 | 0.07 | 256 | 0.00 | 5 | 10.94 | 2.6 | 3.05 | 13.74 | 1.81 | NA | NA | NA | NA | NA | 0.00 |
| 7305 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.06 | 0.06 | 0.10 | 0.10 | 0.06 | 0.06 | 256 | 0.00 | 0 | 12.5 | 1.29 | 1 | 8 | 1.88 | 0 | 1 | 2 | 2 | 4 | 38.89 |
| 14556 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.09 | 0.06 | 0.06 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 199.18 | 0 | 7.64 | 1 | 1 | 14.9 | 1.73 | 1 | 0 | 0 | 4 | 0 | 60.00 |
| 18615 | 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 | 122.91 | 0 | 12.5 | 1.04 | 1.47 | 8 | 1.9 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 6115 | exec - domain_omp.cpp:57-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.0] | Single | 0.10 | 0.05 | 0.05 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 0.00 | 20 | 12.5 | 1 | 1 | 12.18 | 2.16 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 18612 | exec - pair_eam.cpp:939-941 | LAMMPS_NS::PairEAM::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.08 | 0.04 | 0.04 | 0.09 | 0.09 | 0.04 | 0.04 | 256 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.16 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7288 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.08 | 0.04 | 0.04 | 0.09 | 0.09 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 2.23 | 0 | 0 | 6 | 4 | 0 | 65.00 |
| 6114 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.09 | 0.04 | 0.04 | 0.09 | 0.09 | 0.04 | 0.04 | 256 | 0.23 | 0 | 11.38 | 1.93 | 1.91 | 11.6 | 2.53 | NA | NA | NA | NA | NA | 0.00 |
| 2917 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.06 | 0.04 | 0.04 | 0.07 | 0.07 | 0.03 | 0.03 | 256 | 221.82 | 0 | 12.5 | 1.17 | 1.14 | 8 | 1.89 | 1 | 2 | 0 | 8 | 0 | 63.64 |
| 18613 | exec - pair_eam.cpp:954-954 | LAMMPS_NS::PairEAM::unpack_forward_comm(int, int, double*) | Single | 0.07 | 0.03 | 0.03 | 0.07 | 0.07 | 0.03 | 0.03 | 256 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.51 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 18614 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.06 | 0.03 | 0.03 | 0.06 | 0.06 | 0.03 | 0.03 | 255 | 0.28 | 0 | 12.5 | 1 | 1 | 8 | 2.09 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7320 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.10 | 0.03 | 0.03 | 0.10 | 0.10 | 0.03 | 0.03 | 184 | 95.43 | 0 | 12.5 | 1.11 | 1.11 | 8 | 2.95 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 18650 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.05 | 0.02 | 1.28 | 0.05 | 1.31 | 0.02 | 1.22 | 256 | 180.58 | 0 | 10.63 | 1.72 | 1 | 13.47 | 2.73 | NA | NA | NA | NA | NA | 0.00 |
| 9654 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.05 | 0.02 | 0.02 | 0.05 | 0.05 | 0.02 | 0.02 | 256 | 219.66 | 0 | 11.36 | 1.27 | 1.3 | 10 | 3.19 | NA | NA | NA | NA | NA | 0.00 |
| 2057 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.03 | 0.01 | 15.26 | 0.04 | 15.24 | 0.01 | 14.52 | 256 | 342.25 | 0 | 8.75 | 1 | 1 | 13.65 | 3.23 | NA | NA | NA | NA | NA | 0.00 |
| 7304 | 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 | 180 | 55.25 | 0 | 12.5 | 1.29 | 1 | 8 | 3.32 | 0 | 1 | 2 | 2 | 4 | 38.89 |
| 18649 | 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 | 256 | 872.76 | 9.09 | 12.5 | 1.15 | 1.68 | 8.63 | 2.97 | NA | NA | NA | NA | NA | 0.00 |
| 4580 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 128 | 1.64 | 1.92 | 7.81 | 3.01 | 1 | 15.74 | 2.98 | NA | NA | NA | NA | NA | 0.00 |
| 14559 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.01 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 99 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.38 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 9826 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 914.04 | 0 | 10 | 1.65 | 2.35 | 13.18 | 8 | NA | NA | NA | NA | NA | 0.00 |
| 8207 | 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 | 38 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.85 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 15260 | exec - random_park.cpp:108-111 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 255 | 641.39 | 0 | 5.66 | 1 | 1 | 21.66 | 12.75 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8243 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.24 | 0.01 | 0.29 | 0.00 | 0.23 | 25 | 0.00 | 3.3 | 10.48 | 3.18 | 2.74 | 13.78 | 1.92 | NA | NA | NA | NA | NA | 0.00 |
| 8185 | exec - comm_brick.cpp:1045-1067 | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 29 | 6.39 | 0 | 8.88 | 1 | 1 | 15.25 | 2.42 | NA | NA | NA | NA | NA | 0.00 |
| 8183 | 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 | 21 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.75 | NA | NA | NA | NA | NA | 0.00 |
| 8186 | 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 | 21 | 0.00 | 0 | 8.04 | 1 | 1 | 15.32 | 1.91 | NA | NA | NA | NA | NA | 0.00 |
| 1958 | 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 | 13 | 0.00 | 0 | 11.72 | 1 | 1 | 12.71 | 1.86 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 8184 | exec - comm_brick.cpp:612-637 | LAMMPS_NS::CommBrick::reverse_comm() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 19 | 17.05 | 0 | 7.29 | 1 | 1 | 15.75 | 3.17 | NA | NA | NA | NA | NA | 0.00 |
| 1653 | exec - modify.cpp:481-481 | LAMMPS_NS::Modify::final_integrate() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0.00 | NA | NA | 1 | NA | NA | 1.83 | 1 | 1 | 0 | 1 | 1 | 62.50 |
