| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_7 (%) | Exclusive Coverage gcc_7 (%) | Inclusive Coverage gcc_7 (%) | Max Exclusive Time Over Threads gcc_7 (s) | Max Inclusive Time Over Threads gcc_7 (s) | Exclusive Time w.r.t. Wall Time gcc_7 (s) | Inclusive Time w.r.t. Wall Time gcc_7 (s) | Nb Threads gcc_7 | GFLOPS gcc_7 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_7 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 24686 | exec - pair_eam_intel.cpp:513-527 | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 19.80 | 21.87 | 21.87 | 17.14 | 17.14 | 16.42 | 16.42 | 256 | 295.47 | 0 | 6.25 | 1.15 | 1.38 | 16 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
| 24695 | exec - pair_eam_intel.cpp:312-323 | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 19.56 | 21.78 | 21.78 | 16.92 | 16.92 | 16.35 | 16.35 | 256 | 294.64 | 0 | 6.25 | 1 | 2.91 | 16 | 1.04 | NA | NA | NA | NA | NA | 0.00 |
| 24687 | exec - pair_eam_intel.cpp:541-588 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 15.89 | 16.98 | 16.98 | 13.75 | 13.75 | 12.75 | 12.75 | 256 | 1093.82 | 14.89 | 9.97 | 1.02 | 1.98 | 9.22 | 1.08 | 1 | 5 | 0 | 3 | 1 | 75.00 |
| 22579 | exec - npair_intel.cpp:474-558 [...] | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Innermost | 6.52 | 7.09 | 7.09 | 5.65 | 5.65 | 5.32 | 5.32 | 256 | 542.13 | 0 | 6.25 | 1.1 | 2.36 | 16 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 24696 | exec - pair_eam_intel.cpp:335-359 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 5.78 | 6.08 | 6.08 | 5.00 | 5.00 | 4.56 | 4.56 | 256 | 913.67 | 0 | 7.66 | 1 | 1.83 | 7 | 1.1 | 0 | 0 | 0 | 5 | 0 | 50.00 |
| 24694 | exec - pair_eam_intel.cpp:291-363 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Outermost | 1.87 | 1.88 | 29.74 | 1.62 | 23.00 | 1.41 | 22.33 | 256 | 433.08 | 3.64 | 7.95 | 1.67 | 3.15 | 14.94 | 1.15 | NA | NA | NA | NA | NA | 0.00 |
| 6524 | exec - fix_nve_intel.cpp:78-80 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 1.97 | 1.83 | 1.83 | 1.71 | 1.71 | 1.38 | 1.38 | 256 | 145.58 | 0 | 12.5 | 1 | 1 | 8 | 1.24 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 6389 | exec - fix_intel.cpp:884-887 | void LAMMPS_NS::FixIntel::add_oresults<LAMMPS_NS::IntelBuffers<float, double>::vec3_acc_t, double>(LAMMPS_NS::IntelBuffers<float, double>::vec3_acc_t const*, double const*, int, int, int, int) [clone ._omp_fn.0] | Single | 1.77 | 1.54 | 1.54 | 1.53 | 1.53 | 1.16 | 1.16 | 256 | 60.65 | 50 | 18.75 | 1 | 1 | 5.33 | 1.33 | 0 | 1 | 3 | 0 | 0 | 81.25 |
| 24824 | exec - intel_buffers.h:228-231 | void LAMMPS_NS::PairEAMIntel::compute<float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&) [clone ._omp_fn.0] | Single | 1.44 | 1.38 | 1.38 | 1.25 | 1.25 | 1.04 | 1.04 | 256 | 0.00 | 50 | 14.06 | 1 | 1 | 5.33 | 1.2 | 0 | 1 | 2 | 8 | 0 | 59.09 |
| 6527 | exec - fix_nve_intel.cpp:134-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.28 | 1.07 | 1.07 | 1.10 | 1.10 | 0.81 | 0.81 | 256 | 124.37 | 0 | 12.5 | 1.03 | 1.06 | 8 | 1.38 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 22587 | exec - npair_intel.cpp:364-369 | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Innermost | 1.16 | 1.07 | 1.07 | 1.00 | 1.00 | 0.80 | 0.80 | 256 | 0.00 | 0 | 6.25 | 1.33 | 1 | 16 | 1.26 | 0 | 5 | 0 | 4 | 0 | 77.78 |
| 22586 | exec - npair_intel.cpp:343-354 [...] | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | InBetween | 1.10 | 1.06 | 1.33 | 0.95 | 1.18 | 0.79 | 1.00 | 256 | 22.32 | 0 | 8.44 | 1 | 1 | 14.44 | 1.2 | NA | NA | NA | NA | NA | 0.00 |
| 24685 | exec - pair_eam_intel.cpp:484-606 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Outermost | 1.06 | 0.99 | 39.85 | 0.91 | 31.77 | 0.74 | 29.92 | 256 | 711.43 | 12.9 | 9.88 | 1.9 | 2.02 | 13.99 | 1.23 | NA | NA | NA | NA | NA | 0.00 |
| 22580 | exec - npair_intel.cpp:330-762 [...] | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Outermost | 0.65 | 0.58 | 10.20 | 0.56 | 7.95 | 0.43 | 7.66 | 256 | 546.79 | 0 | 7.72 | 3.05 | 2.17 | 14.89 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
| 24668 | exec - pair_eam_intel.cpp:513-527 | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 0.59 | 0.57 | 0.57 | 0.51 | 0.51 | 0.43 | 0.43 | 256 | 312.71 | 0 | 6.25 | 1.15 | 1.38 | 16 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 24676 | exec - pair_eam_intel.cpp:312-323 | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 0.57 | 0.57 | 0.57 | 0.50 | 0.50 | 0.43 | 0.43 | 256 | 314.40 | 0 | 6.25 | 1 | 2.91 | 16 | 1.16 | NA | NA | NA | NA | NA | 0.00 |
| 24669 | exec - pair_eam_intel.cpp:541-596 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 0.56 | 0.53 | 0.53 | 0.48 | 0.48 | 0.40 | 0.40 | 256 | 971.29 | 3.82 | 8.81 | 1.02 | 2.49 | 10.39 | 1.23 | 1 | 5 | 0 | 3 | 1 | 75.00 |
| 24688 | exec - pair_eam_intel.cpp:439-450 | void LAMMPS_NS::PairEAMIntel::eval<1, 0, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Single | 0.43 | 0.38 | 0.38 | 0.37 | 0.37 | 0.28 | 0.28 | 256 | 458.32 | 6.9 | 8.84 | 1.06 | 1.56 | 12.52 | 1.31 | 1 | 0 | 0 | 3 | 2 | 41.67 |
| 7061 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.49 | 0.38 | 0.38 | 0.43 | 0.43 | 0.28 | 0.28 | 256 | 69.49 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.51 | 0 | 0 | 4 | 4 | 1 | 55.56 |
| 1788 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.50 | 0.35 | 0.35 | 0.43 | 0.43 | 0.26 | 0.26 | 256 | 167.58 | 25 | 15.63 | 1 | 1.08 | 6.12 | 1.63 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 7817 | exec - comm_brick.cpp:841-915 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.39 | 0.33 | 0.33 | 0.34 | 0.34 | 0.25 | 0.25 | 256 | 0.00 | 0 | 10.53 | 1.98 | 1 | 12.94 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
| 7168 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.45 | 0.32 | 0.32 | 0.39 | 0.39 | 0.24 | 0.24 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.63 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 22588 | exec - npair_intel.cpp:353-354 | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Innermost | 0.35 | 0.27 | 0.27 | 0.30 | 0.30 | 0.20 | 0.20 | 256 | 0.72 | 0 | 6.25 | 1 | 1 | 16 | 1.49 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 6501 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) [clone ._omp_fn.0] | Single | 0.30 | 0.26 | 0.26 | 0.26 | 0.26 | 0.20 | 0.20 | 256 | 0.00 | 40 | 12.5 | 1 | 1 | 5.33 | 1.32 | 0 | 1 | 2 | 4 | 0 | 64.29 |
| 24677 | exec - pair_eam_intel.cpp:335-359 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Innermost | 0.21 | 0.17 | 0.17 | 0.18 | 0.18 | 0.13 | 0.13 | 256 | 914.51 | 0 | 7.66 | 1 | 1.83 | 7 | 1.45 | 0 | 0 | 0 | 5 | 0 | 50.00 |
| 1874 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.22 | 0.16 | 0.16 | 0.19 | 0.19 | 0.12 | 0.12 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.55 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 22585 | exec - npair_intel.cpp:414-457 [...] | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Innermost | 0.18 | 0.13 | 0.13 | 0.16 | 0.16 | 0.10 | 0.10 | 256 | 348.85 | 0 | 6.4 | 1.11 | 1.71 | 16 | 1.58 | NA | NA | NA | NA | NA | 0.00 |
| 7790 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.17 | 0.11 | 0.11 | 0.14 | 0.14 | 0.08 | 0.08 | 256 | 0.00 | 0 | 9.03 | 2.05 | 1 | 14.4 | 1.74 | NA | NA | NA | NA | NA | 0.00 |
| 5632 | exec - domain_omp.cpp:57-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.0] | Single | 0.14 | 0.09 | 0.09 | 0.13 | 0.13 | 0.06 | 0.06 | 256 | 0.00 | 20 | 12.5 | 1 | 1 | 12.18 | 1.97 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 16893 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.13 | 0.07 | 0.07 | 0.12 | 0.12 | 0.06 | 0.06 | 256 | 115.48 | 0 | 12.5 | 1.04 | 1.47 | 8 | 2.09 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 7139 | exec - atom_vec.cpp:804-810 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.06 | 0.06 | 0.09 | 0.09 | 0.04 | 0.04 | 255 | 0.00 | 16.67 | 11.98 | 1.18 | 1 | 7.33 | 1.91 | 0 | 1 | 2 | 2 | 4 | 38.89 |
| 6504 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.12 | 0.06 | 0.06 | 0.11 | 0.11 | 0.04 | 0.04 | 256 | 214.05 | 0 | 7.81 | 1 | 1 | 15.04 | 2.39 | 1 | 0 | 0 | 12 | 0 | 53.85 |
| 7154 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.24 | 0.06 | 0.06 | 0.20 | 0.20 | 0.04 | 0.04 | 184 | 58.21 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.43 | 0 | 1 | 2 | 4 | 1 | 56.25 |
| 7122 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.09 | 0.06 | 0.06 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 1.89 | 0 | 0 | 6 | 4 | 0 | 65.00 |
| 6917 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.09 | 0.05 | 0.05 | 0.07 | 0.07 | 0.04 | 0.04 | 256 | 428.04 | 0 | 9.71 | 1.52 | 2.25 | 11.56 | 1.86 | 1 | 0 | 0 | 4 | 0 | 60.00 |
| 24675 | exec - pair_eam_intel.cpp:291-363 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Outermost | 0.10 | 0.05 | 0.79 | 0.09 | 0.62 | 0.04 | 0.60 | 256 | 449.00 | 3.64 | 7.95 | 1.67 | 3.15 | 14.94 | 2.26 | NA | NA | NA | NA | NA | 0.00 |
| 5631 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.10 | 0.05 | 0.05 | 0.09 | 0.09 | 0.04 | 0.04 | 256 | 0.16 | 0 | 11.38 | 1.93 | 1.91 | 11.6 | 2.34 | NA | NA | NA | NA | NA | 0.00 |
| 6455 | exec - intel_buffers.cpp:624-624 | LAMMPS_NS::IntelBuffers<float, double>::fdotr_reduce_l5(int, int, int, int, double&, double&, double&, double&, double&, double&) | Single | 0.07 | 0.04 | 0.04 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 284.15 | 35.29 | 13.97 | 1 | 1.23 | 7.2 | 1.95 | 3 | 0 | 4 | 0 | 0 | 85.71 |
| 24589 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.09 | 0.04 | 0.04 | 0.08 | 0.08 | 0.03 | 0.03 | 256 | 0.00 | 0 | 9.38 | 1 | 1 | 11.33 | 2.62 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6503 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.08 | 0.04 | 0.04 | 0.07 | 0.07 | 0.03 | 0.03 | 256 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 2.33 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 6502 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.08 | 0.04 | 0.08 | 0.06 | 0.11 | 0.03 | 0.06 | 256 | 0.00 | 0 | 6.88 | 1 | 1 | 15.45 | 2.17 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 16892 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.07 | 0.04 | 0.04 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 0.32 | 0 | 12.5 | 1 | 1 | 8 | 2.27 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 6916 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.06 | 0.03 | 0.03 | 0.05 | 0.05 | 0.02 | 0.02 | 254 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 2.21 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 24667 | exec - pair_eam_intel.cpp:484-614 [...] | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Outermost | 0.06 | 0.03 | 1.13 | 0.05 | 0.88 | 0.02 | 0.85 | 256 | 761.24 | 18.18 | 11.46 | 1.85 | 2.18 | 13.15 | 2.54 | NA | NA | NA | NA | NA | 0.00 |
| 24587 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.06 | 0.02 | 0.02 | 0.05 | 0.05 | 0.02 | 0.02 | 250 | 0.00 | 0 | 9.38 | 1 | 1 | 8 | 3.11 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 9035 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.05 | 0.02 | 0.02 | 0.05 | 0.05 | 0.02 | 0.02 | 256 | 203.70 | 0 | 11.36 | 1.27 | 1.3 | 10 | 2.7 | NA | NA | NA | NA | NA | 0.00 |
| 6914 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.05 | 0.02 | 0.02 | 0.05 | 0.05 | 0.01 | 0.01 | 241 | 0.00 | 0 | 8.33 | 1 | 1 | 16 | 3.03 | 2 | 0 | 0 | 1 | 2 | 50.00 |
| 6915 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | Outermost | 0.05 | 0.02 | 0.05 | 0.04 | 0.09 | 0.01 | 0.04 | 239 | 0.00 | 0 | 6.88 | 1 | 1 | 15.24 | 2.96 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 24666 | exec - pair_eam_intel.cpp:439-462 | void LAMMPS_NS::PairEAMIntel::eval<1, 1, 1, float, double>(int, int, LAMMPS_NS::IntelBuffers<float, double>*, LAMMPS_NS::PairEAMIntel::ForceConst<float> const&, int, int) [clone ._omp_fn.0] | Single | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 680.36 | 3.67 | 8.85 | 1 | 1.73 | 12.17 | 2.8 | 1.5 | 1 | 0 | 1.5 | 2 | 53.57 |
| 6913 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.03 | 0.01 | 0.03 | 0.03 | 0.06 | 0.01 | 0.02 | 219 | 0.00 | 0 | 6.71 | 1 | 1 | 15.55 | 2.58 | NA | NA | NA | NA | NA | 70.00 |
| 7138 | exec - atom_vec.cpp:823-829 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.07 | 0.01 | 0.01 | 0.06 | 0.06 | 0.01 | 0.01 | 184 | 66.51 | 16.67 | 11.98 | 1.1 | 1.1 | 7.33 | 5.72 | 0 | 0 | 4 | 2 | 4 | 40.00 |
| 22584 | exec - npair_intel.cpp:392-398 | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Innermost | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 190 | 0.00 | 0 | 6.25 | 1.67 | 1 | 16 | 3.08 | 0 | 6 | 0 | 4 | 0 | 80.00 |
| 4223 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.03 | 0.00 | 0.00 | 0.03 | 0.03 | 0.00 | 0.00 | 130 | 2.04 | 1.72 | 7.76 | 2.86 | 1 | 15.75 | 3.48 | NA | NA | NA | NA | NA | 0.00 |
| 6507 | exec - nbin_intel.cpp:198-198 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 126 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.26 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 6912 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 112 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 3.11 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 6918 | exec - atom.cpp:2408-2408 | LAMMPS_NS::Atom::sort() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 97 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 3.08 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 9186 | 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 | 467.63 | 1.82 | 10.11 | 1.55 | 2.08 | 13.33 | 5.12 | NA | NA | NA | NA | NA | 0.00 |
| 7764 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 50 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.59 | NA | NA | NA | NA | NA | 0.00 |
| 7789 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 44 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.54 | 2.33 | 0 | 0 | 1.67 | 0 | 79.17 |
| 14078 | 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 | 49 | 1.47 | 0 | 5.66 | 1 | 1 | 21.66 | 1.88 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7773 | 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 | 43 | 10.49 | 0 | 8.88 | 1 | 1 | 15.25 | 2.53 | NA | NA | NA | NA | NA | 0.00 |
| 7765 | 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 | 28 | 6.64 | 0 | 7.29 | 1 | 1 | 15.75 | 2.43 | NA | NA | NA | NA | NA | 0.00 |
| 7816 | exec - comm_brick.cpp:798-968 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.33 | 0.01 | 0.32 | 0.00 | 0.25 | 20 | 0.00 | 0.23 | 9.76 | 2.36 | 1 | 13.81 | 1.9 | NA | NA | NA | NA | NA | 0.00 |
| 12203 | 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 | 20 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.9 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7343 | 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 | 1.87 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7774 | 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 | 13 | 0.00 | 0 | 8.17 | 1 | 1 | 15.3 | 1.86 | NA | NA | NA | NA | NA | 0.00 |
