| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_0 (%) | Exclusive Coverage gcc_0 (%) | Inclusive Coverage gcc_0 (%) | Max Exclusive Time Over Threads gcc_0 (s) | Max Inclusive Time Over Threads gcc_0 (s) | Exclusive Time w.r.t. Wall Time gcc_0 (s) | Inclusive Time w.r.t. Wall Time gcc_0 (s) | Nb Threads gcc_0 | GFLOPS gcc_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 19071 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 39.50 | 40.90 | 40.90 | 44.49 | 44.49 | 40.78 | 40.78 | 256 | 528.38 | 30.48 | 15.79 | 1.23 | 2.12 | 6.39 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 19072 | exec - pair_eam.cpp:197-217 | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 27.73 | 29.16 | 29.16 | 31.23 | 31.23 | 29.08 | 29.08 | 256 | 432.52 | 22.6 | 14.63 | 1.16 | 2.17 | 5.56 | 1.08 | 1.75 | 1 | 0 | 3.5 | 5.75 | 42.19 |
| 1968 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 11.64 | 12.43 | 12.43 | 13.11 | 13.11 | 12.39 | 12.39 | 256 | 228.44 | 19.51 | 13.15 | 1.5 | 2.1 | 14.93 | 1.06 | NA | NA | NA | NA | NA | 0.00 |
| 1967 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 2.36 | 2.32 | 14.74 | 2.66 | 15.61 | 2.31 | 14.70 | 256 | 286.75 | 0 | 9.38 | 1 | 1 | 14.15 | 1.16 | NA | NA | NA | NA | NA | 0.00 |
| 19068 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 1.64 | 1.21 | 1.21 | 1.85 | 1.85 | 1.20 | 1.20 | 256 | 420.18 | 29.25 | 15.64 | 1.21 | 2.08 | 6.43 | 1.54 | NA | NA | NA | NA | NA | 0.00 |
| 12235 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 1.34 | 1.06 | 1.06 | 1.51 | 1.51 | 1.05 | 1.05 | 256 | 206.01 | 0 | 9.38 | 1.14 | 1.22 | 3.88 | 1.44 | 0.5 | 3 | 0 | 1.5 | 0.5 | 87.50 |
| 12237 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 1.06 | 0.71 | 0.71 | 1.19 | 1.19 | 0.71 | 0.71 | 256 | 165.10 | 0 | 9.38 | 1 | 1.3 | 2.42 | 1.69 | 0.5 | 2.5 | 0 | 1 | 0.5 | 87.50 |
| 19065 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.47 | 0.38 | 29.55 | 0.53 | 31.58 | 0.38 | 29.46 | 256 | 341.22 | 0 | 11.61 | 2 | 1 | 13.18 | 1.38 | NA | NA | NA | NA | NA | 0.00 |
| 19070 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.44 | 0.34 | 41.24 | 0.49 | 44.98 | 0.34 | 41.12 | 256 | 409.23 | 26.67 | 14.58 | 2.18 | 1 | 12.94 | 1.44 | NA | NA | NA | NA | NA | 0.00 |
| 8247 | exec - memory.h:53-80 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.28 | 0.23 | 0.23 | 0.31 | 0.31 | 0.23 | 0.23 | 256 | 0.00 | 3.57 | 11.61 | 2.74 | 2.17 | 12.36 | 1.34 | NA | NA | NA | NA | NA | 0.00 |
| 19069 | exec - pair_eam.cpp:232-240 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.28 | 0.21 | 0.21 | 0.31 | 0.31 | 0.21 | 0.21 | 256 | 631.62 | 5.88 | 12.13 | 1.21 | 2.04 | 9.67 | 1.5 | 1 | 1 | 0 | 1 | 6 | 27.78 |
| 7128 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.32 | 0.20 | 0.20 | 0.36 | 0.36 | 0.20 | 0.20 | 256 | 97.15 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.82 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1769 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.32 | 0.17 | 0.17 | 0.36 | 0.36 | 0.17 | 0.17 | 256 | 267.68 | 28.57 | 16.07 | 1 | 1.33 | 7.11 | 2.18 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 7294 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.27 | 0.16 | 0.16 | 0.30 | 0.30 | 0.16 | 0.16 | 256 | 0.00 | 0 | 12.5 | 1.22 | 1 | 8 | 1.92 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1865 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.14 | 0.12 | 0.12 | 0.16 | 0.16 | 0.12 | 0.12 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.37 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 8200 | exec - comm_brick.cpp:709-1517 [...] | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.11 | 0.09 | 0.09 | 0.13 | 0.13 | 0.09 | 0.09 | 256 | 0.00 | 4.76 | 11.61 | 2.6 | 2.94 | 13.57 | 1.46 | NA | NA | NA | NA | NA | 0.00 |
| 1965 | exec - my_page.h:51-76 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.12 | 0.08 | 14.82 | 0.13 | 15.66 | 0.08 | 14.78 | 256 | 367.84 | 20.55 | 12.33 | 3.35 | 1 | 10.8 | 1.64 | NA | NA | NA | NA | NA | 0.00 |
| 19027 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.10 | 0.06 | 0.06 | 0.11 | 0.11 | 0.06 | 0.06 | 256 | 116.61 | 0 | 12.5 | 1.17 | 1.65 | 8 | 1.98 | 0 | 2 | 0 | 1 | 0 | 83.33 |
| 7254 | 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 | 0.06 | 0.06 | 256 | 0.00 | 35.71 | 14.29 | 1.18 | 1 | 8.89 | 1.99 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 6047 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.08 | 0.05 | 0.05 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.14 | 14.63 | 12.8 | 1.97 | 1.86 | 10.73 | 1.57 | NA | NA | NA | NA | NA | 0.00 |
| 14775 | 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 | 153.29 | 0 | 8.93 | 1 | 1 | 14.12 | 1.85 | 1 | 0 | 0 | 1 | 0 | 75.00 |
| 19022 | 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 | 2.12 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7231 | 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 | 2.22 | 0 | 4 | 2 | 1 | 0 | 85.71 |
| 19024 | 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 | 100 | 25 | 1 | 1 | 4 | 2.39 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7274 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.03 | 0.03 | 0.13 | 0.13 | 0.03 | 0.03 | 184 | 96.05 | 0 | 12.5 | 1.17 | 1.56 | 8 | 3.6 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 19026 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.05 | 0.02 | 0.02 | 0.06 | 0.06 | 0.02 | 0.02 | 255 | 0.27 | 100 | 25 | 1 | 1 | 4 | 2.3 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 2830 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.04 | 0.02 | 0.02 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 325.20 | 0 | 12.5 | 1 | 1.47 | 8 | 1.7 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 9676 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.03 | 0.02 | 0.02 | 0.03 | 0.03 | 0.02 | 0.02 | 256 | 260.26 | 12.5 | 10.94 | 1.04 | 1.39 | 7.41 | 1.94 | 0.5 | 2 | 0 | 0.5 | 0.5 | 87.50 |
| 1966 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Outermost | 0.04 | 0.01 | 14.83 | 0.05 | 15.67 | 0.01 | 14.79 | 256 | 268.02 | 0 | 8.59 | 1 | 1 | 13.89 | 4.36 | NA | NA | NA | NA | NA | 0.00 |
| 7253 | 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 | 184 | 49.66 | 29.41 | 13.97 | 1.15 | 1.53 | 9.14 | 3.52 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 19067 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.03 | 0.01 | 1.22 | 0.04 | 1.86 | 0.01 | 1.21 | 256 | 322.44 | 26.67 | 14.58 | 2.18 | 1 | 12.94 | 3.6 | NA | NA | NA | NA | NA | 0.00 |
| 19066 | 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 | 798.41 | 2.56 | 11.86 | 1.16 | 2.1 | 9.26 | 2.73 | NA | NA | NA | NA | NA | 0.00 |
| 14778 | exec - nbin_standard.cpp:226-226 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 113 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.97 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 4489 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.00 | 0.00 | 0.03 | 0.03 | 0.00 | 0.00 | 119 | 1.35 | 0.96 | 7.15 | 3.06 | 1 | 15.74 | 3.94 | NA | NA | NA | NA | NA | 0.00 |
| 6955 | 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 | 313.12 | 0 | 8.87 | 1.53 | 1.91 | 12.27 | 7.31 | 1 | 0 | 0 | 2 | 0 | 66.67 |
| 9859 | 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 | 818.85 | 0 | 9.8 | 1.67 | 2.22 | 13.44 | 7.76 | NA | NA | NA | NA | NA | 0.00 |
| 15489 | 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 | 145 | 49.84 | 0 | 5.66 | 1 | 1 | 30.61 | 4.53 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8199 | 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 | 42 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.95 | 1.67 | 0 | 0 | 0.67 | 1 | 58.33 |
| 8177 | exec - comm_brick.cpp:1045-1065 | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 37 | 7.18 | 0 | 8.89 | 1 | 1 | 14.38 | 2.31 | NA | NA | NA | NA | NA | 0.00 |
| 8176 | 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 | 26 | 3.78 | 0 | 7.71 | 1 | 1 | 15.16 | 1.93 | NA | NA | NA | NA | NA | 0.00 |
| 8175 | 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 | 25 | 1.02 | 0 | 7.26 | 1 | 1 | 15.41 | 2 | NA | NA | NA | NA | NA | 0.00 |
| 6960 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 23 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 1.92 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 8178 | 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 | 22 | 0.00 | 0 | 8.24 | 1 | 1 | 14.85 | 1.91 | NA | NA | NA | NA | NA | 0.00 |
| 8246 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.23 | 0.01 | 0.26 | 0.00 | 0.23 | 21 | 0.00 | 1.42 | 8.42 | 4.63 | 2.99 | 14.93 | 1.91 | NA | NA | NA | NA | NA | 0.00 |
| 7482 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.67 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 13310 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 0.00 | 100 | 25 | 1 | 1 | 4 | 1.89 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 1573 | exec - modify.cpp:401-402 | LAMMPS_NS::Modify::initial_integrate(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.83 | 1 | 1 | 0 | 1 | 1 | 62.50 |
