| 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 |
|---|
| 29198 | 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 | 22.82 | 22.51 | 22.51 | 20.66 | 20.66 | 19.90 | 19.90 | 192 | 332.38 | 0 | 6.25 | 1.16 | 1.85 | 16 | 1.04 | 1 | 1 | 0 | 1 | 0 | 81.25 |
| 29187 | 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 | 21.03 | 20.67 | 20.67 | 19.05 | 19.05 | 18.27 | 18.27 | 192 | 385.96 | 0 | 6.25 | 1.11 | 1.43 | 16 | 1.04 | 2.5 | 1 | 0 | 1 | 0 | 83.93 |
| 29188 | 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 | 17.25 | 16.61 | 16.61 | 15.62 | 15.62 | 14.69 | 14.69 | 192 | 790.14 | 15.22 | 9.92 | 1 | 1.7 | 12.26 | 1.06 | 2 | 5 | 0 | 2 | 1 | 80.00 |
| 26437 | 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 | 9.46 | 9.26 | 9.26 | 8.56 | 8.56 | 8.19 | 8.19 | 192 | 338.69 | 0 | 6.25 | 1.28 | 2.01 | 16 | 1.05 | 0.5 | 4.5 | 0 | 0 | 1.5 | 77.50 |
| 29199 | 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 | 6.63 | 6.20 | 6.20 | 6.00 | 6.00 | 5.48 | 5.48 | 192 | 451.69 | 0 | 7.81 | 1 | 2.32 | 16 | 1.1 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 7245 | exec - fix_nve_intel.cpp:78-80 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 2.33 | 2.01 | 2.01 | 2.11 | 2.11 | 1.77 | 1.77 | 192 | 113.03 | 100 | 100 | 1 | 1 | 1 | 1.19 | 0 | 3 | 0 | 0 | 0 | 100.00 |
| 29373 | 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 | 1.79 | 1.52 | 1.52 | 1.62 | 1.62 | 1.35 | 1.35 | 192 | 0.00 | 50 | 14.06 | 1.25 | 1 | 6.67 | 1.2 | 0 | 1 | 1 | 1 | 0 | 75.00 |
| 7047 | exec - fix_intel.cpp:884-885 | 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 | 1.76 | 1.36 | 1.36 | 1.59 | 1.59 | 1.20 | 1.20 | 192 | 55.57 | 100 | 100 | 1 | 1 | 1 | 1.33 | 0 | 1 | 2 | 0 | 0 | 83.33 |
| 7251 | exec - fix_nve_intel.cpp:134-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.59 | 1.28 | 1.28 | 1.44 | 1.44 | 1.13 | 1.13 | 192 | 88.29 | 100 | 100 | 1 | 1 | 1 | 1.28 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 26445 | exec - npair_intel.cpp:343-381 [...] | 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 | 1.47 | 1.21 | 1.33 | 1.33 | 1.49 | 1.07 | 1.18 | 192 | 164.41 | 6.9 | 11.42 | 3.05 | 1 | 13.95 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 26446 | 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 | 1.28 | 1.04 | 1.04 | 1.16 | 1.16 | 0.92 | 0.92 | 192 | 1.37 | 0 | 6.25 | 1.29 | 1 | 16 | 1.27 | 0 | 5 | 0 | 1 | 0 | 91.67 |
| 29186 | 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 | 0.86 | 0.65 | 37.94 | 0.78 | 34.23 | 0.58 | 33.53 | 192 | 457.05 | 29.63 | 14.35 | 1.9 | 2.02 | 12.22 | 1.35 | NA | NA | NA | NA | NA | 0.00 |
| 29174 | 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 | 0.72 | 0.60 | 0.60 | 0.65 | 0.65 | 0.53 | 0.53 | 192 | 335.62 | 0 | 6.25 | 1.16 | 1.85 | 16 | 1.22 | 1 | 1 | 0 | 1 | 0 | 81.25 |
| 29161 | 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 | 0.70 | 0.55 | 0.55 | 0.63 | 0.63 | 0.49 | 0.49 | 192 | 396.04 | 0 | 6.25 | 1.11 | 1.43 | 16 | 1.29 | 2.5 | 1 | 0 | 1 | 0 | 83.93 |
| 29163 | exec - pair_eam_intel.cpp:541-592 [...] | 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 | 0.68 | 0.51 | 0.51 | 0.62 | 0.62 | 0.45 | 0.45 | 192 | 773.35 | 14 | 9.75 | 1 | 1.76 | 12 | 1.37 | 2 | 5 | 0 | 2 | 1 | 80.00 |
| 7871 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.72 | 0.47 | 0.47 | 0.65 | 0.65 | 0.42 | 0.42 | 192 | 39.86 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.56 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1879 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.56 | 0.37 | 0.37 | 0.51 | 0.51 | 0.33 | 0.33 | 192 | 132.25 | 25 | 15.63 | 1.06 | 1.52 | 6.33 | 1.55 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 29197 | 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 | 0.65 | 0.34 | 29.05 | 0.59 | 26.54 | 0.30 | 25.67 | 192 | 441.17 | 20 | 11.88 | 2 | 2.67 | 14.77 | 1.95 | NA | NA | NA | NA | NA | 0.00 |
| 8032 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.43 | 0.25 | 0.25 | 0.39 | 0.39 | 0.22 | 0.22 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.74 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 26438 | 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 | 0.41 | 0.24 | 12.10 | 0.37 | 10.86 | 0.21 | 10.70 | 192 | 376.72 | 2.17 | 9.78 | 4.7 | 1 | 12.87 | 1.74 | NA | NA | NA | NA | NA | 0.00 |
| 7214 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) [clone ._omp_fn.0] | Single | 0.38 | 0.24 | 0.24 | 0.34 | 0.34 | 0.21 | 0.21 | 192 | 0.00 | 40 | 12.5 | 1.75 | 1 | 9.33 | 1.61 | 0 | 3 | 0 | 1 | 0 | 87.50 |
| 1975 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.38 | 0.24 | 0.24 | 0.34 | 0.34 | 0.21 | 0.21 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.62 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 8997 | exec - memory.h:53-80 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.38 | 0.22 | 0.22 | 0.34 | 0.34 | 0.20 | 0.20 | 192 | 0.00 | 4 | 11.5 | 2.4 | 1.78 | 11.52 | 1.73 | NA | NA | NA | NA | NA | 0.00 |
| 29185 | 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 | 0.33 | 0.19 | 0.19 | 0.30 | 0.30 | 0.17 | 0.17 | 192 | 657.86 | 6.67 | 8.75 | 1.3 | 1.6 | 14.22 | 1.75 | 1 | 1 | 0 | 0 | 2 | 50.00 |
| 26444 | 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 | 0.29 | 0.18 | 0.18 | 0.26 | 0.26 | 0.16 | 0.16 | 192 | 663.15 | 0 | 6.6 | 1.43 | 2.99 | 15.67 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 29175 | 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 | 0.27 | 0.18 | 0.18 | 0.24 | 0.24 | 0.16 | 0.16 | 192 | 494.25 | 0 | 7.81 | 1 | 2.32 | 16 | 1.54 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 8950 | exec - comm_brick.cpp:709-1517 [...] | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.22 | 0.11 | 0.11 | 0.20 | 0.20 | 0.10 | 0.10 | 192 | 0.00 | 5.26 | 11.18 | 3 | 2.99 | 13.63 | 2.04 | NA | NA | NA | NA | NA | 0.00 |
| 7699 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.15 | 0.07 | 0.07 | 0.14 | 0.14 | 0.07 | 0.07 | 192 | 263.16 | 0 | 8.87 | 2 | 1.91 | 12.35 | 2.15 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 26447 | 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 | 0.15 | 0.07 | 0.07 | 0.14 | 0.14 | 0.06 | 0.06 | 192 | 299.67 | 0 | 6.25 | 1 | 1 | 16 | 2.16 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7223 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.14 | 0.07 | 0.07 | 0.13 | 0.13 | 0.06 | 0.06 | 192 | 145.90 | 0 | 8.93 | 1 | 1 | 14.67 | 2.1 | 1 | 0 | 0 | 3 | 3 | 35.71 |
| 6201 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.13 | 0.07 | 0.07 | 0.12 | 0.12 | 0.06 | 0.06 | 192 | 0.04 | 0 | 11.16 | 1.5 | 1.27 | 9.6 | 2.04 | NA | NA | NA | NA | NA | 0.00 |
| 19913 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.13 | 0.06 | 0.06 | 0.12 | 0.12 | 0.05 | 0.05 | 192 | 102.49 | 0 | 12.5 | 1 | 1.28 | 8 | 2.3 | 0 | 2 | 0 | 1 | 0 | 83.33 |
| 29052 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.05 | 0.05 | 0.11 | 0.11 | 0.05 | 0.05 | 191 | 0.00 | 100 | 78.57 | 1 | 1 | 1.16 | 2.33 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 26448 | 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 | 0.12 | 0.05 | 0.05 | 0.11 | 0.11 | 0.04 | 0.04 | 192 | 125.62 | 100 | 100 | 1 | 1 | 1 | 2.45 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 8013 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.20 | 0.05 | 0.05 | 0.18 | 0.18 | 0.04 | 0.04 | 143 | 59.28 | 0 | 12.5 | 1.14 | 1.28 | 8 | 3.19 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 26443 | 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 | 0.10 | 0.04 | 0.04 | 0.09 | 0.09 | 0.04 | 0.04 | 190 | 0.00 | 0 | 6.25 | 1.43 | 1 | 16 | 2.4 | 0 | 6 | 0 | 1 | 0 | 92.86 |
| 7995 | exec - atom_vec.cpp:804-810 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.04 | 0.04 | 0.09 | 0.09 | 0.03 | 0.03 | 184 | 0.00 | 18.18 | 12.5 | 1.18 | 1 | 9.04 | 2.58 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 7972 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.09 | 0.04 | 0.04 | 0.08 | 0.08 | 0.03 | 0.03 | 185 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.43 | 0 | 4 | 2 | 1 | 0 | 85.71 |
| 7222 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.10 | 0.04 | 0.04 | 0.09 | 0.09 | 0.03 | 0.03 | 182 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 2.72 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 7702 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.09 | 0.03 | 0.03 | 0.08 | 0.08 | 0.03 | 0.03 | 184 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.52 | 3 | 0 | 0 | 1 | 0 | 87.50 |
| 7221 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.08 | 0.03 | 0.07 | 0.07 | 0.12 | 0.03 | 0.06 | 177 | 0.00 | 0 | 6.88 | 1 | 1 | 15.45 | 2.34 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 7157 | 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 | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.03 | 0.03 | 192 | 267.08 | 0 | 11.25 | 1 | 1.14 | 9.81 | 2.59 | 3 | 0 | 3 | 0 | 0 | 87.50 |
| 7704 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.09 | 0.03 | 0.03 | 0.08 | 0.08 | 0.03 | 0.03 | 177 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 2.79 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 10478 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.08 | 0.02 | 0.02 | 0.07 | 0.07 | 0.02 | 0.02 | 192 | 163.62 | 0 | 9.38 | 1.08 | 1.25 | 9.45 | 3.36 | 0.5 | 2 | 0 | 0.5 | 0.5 | 87.50 |
| 7703 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | Outermost | 0.07 | 0.02 | 0.05 | 0.06 | 0.09 | 0.01 | 0.04 | 150 | 0.00 | 0 | 7.29 | 1 | 1 | 15.3 | 3.21 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 29160 | 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 | 0.07 | 0.02 | 1.08 | 0.06 | 1.00 | 0.01 | 0.96 | 192 | 573.07 | 45.95 | 17.74 | 1.86 | 2.46 | 11.91 | 4.28 | NA | NA | NA | NA | NA | 0.00 |
| 19912 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.04 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 147 | 3.28 | 100 | 100 | 1 | 1 | 1 | 2.24 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 7701 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.06 | 0.01 | 0.05 | 0.05 | 0.09 | 0.01 | 0.04 | 148 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 3.12 | NA | NA | NA | NA | NA | 62.50 |
| 29050 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.06 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 112 | 0.00 | 100 | 87.5 | 1 | 1 | 1.14 | 3.16 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 29173 | 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 | 0.04 | 0.01 | 0.79 | 0.04 | 0.74 | 0.01 | 0.70 | 192 | 373.58 | 20 | 11.88 | 2 | 2.67 | 14.77 | 4.34 | NA | NA | NA | NA | NA | 0.00 |
| 29164 | exec - pair_eam_intel.cpp:439-461 | 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 | 0.06 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 192 | 830.31 | 3.96 | 8.81 | 1.11 | 1.44 | 12.33 | 6.08 | 2 | 1 | 0 | 1 | 2 | 58.33 |
| 7226 | exec - nbin_intel.cpp:198-198 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 111 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.12 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 7994 | 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 | 123 | 79.68 | 18.18 | 12.5 | 1.18 | 1.25 | 9.04 | 5.43 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 7700 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.03 | 0.00 | 0.00 | 0.03 | 0.03 | 0.00 | 0.00 | 68 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.49 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 7705 | exec - atom.cpp:2408-2408 | LAMMPS_NS::Atom::sort() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 60 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.62 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 4621 | 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 | 59 | 8.64 | 0.96 | 7.15 | 4.32 | 1 | 15.73 | 2.9 | NA | NA | NA | NA | NA | 0.00 |
| 16311 | 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 | 94 | 52.65 | 0 | 5.66 | 1 | 1 | 30.61 | 1.84 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 10653 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 186 | 460.29 | 0 | 9.8 | 2.31 | 1.85 | 12.2 | 7.44 | NA | NA | NA | NA | NA | 0.00 |
| 8924 | 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 | 25 | 1.92 | 0 | 7.33 | 1 | 1 | 15.45 | 2 | NA | NA | NA | NA | NA | 0.00 |
| 14135 | exec - group.cpp:1183-1188 | LAMMPS_NS::Group::vcm(int, double, double*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 97 | 203.76 | 0 | 9.38 | 1.13 | 1.18 | 9.07 | 4.85 | 0.5 | 2 | 0 | 0.5 | 0.5 | 87.50 |
| 1980 | 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 | 16 | 0.00 | 100 | 78.57 | 1 | 1 | 1.05 | 1 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 4602 | exec - velocity.cpp:757-761 | LAMMPS_NS::Velocity::zero_momentum() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 45 | 98.90 | 0 | 9.38 | 1.15 | 1.13 | 9.23 | 2.81 | 0.5 | 1.5 | 0 | 0.5 | 0 | 93.75 |
| 8217 | exec - | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8925 | 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 | 15 | 13.70 | 0 | 7.71 | 1 | 1 | 14.97 | 1.07 | NA | NA | NA | NA | NA | 0.00 |
| 4135 | exec - variable.cpp:917-919 | LAMMPS_NS::Variable::set_arrays(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 0.00 | 0 | 10.42 | 1 | 1 | 11.86 | 1 | 0.67 | 2 | 0 | 0.67 | 0 | 94.44 |
| 4601 | exec - velocity.cpp:726-730 | LAMMPS_NS::Velocity::rescale(double, double) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 53 | 154.90 | 0 | 9.38 | 1.2 | 1.17 | 9.6 | 4.08 | 0 | 1.5 | 0 | 0.5 | 0 | 91.67 |
| 8948 | 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 | 13 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 1 | 1 | 50.00 |
| 8996 | exec - comm_brick.cpp:798-1542 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.02 | 0.00 | 0.22 | 0.02 | 0.29 | 0.00 | 0.20 | 11 | 0.00 | 1.95 | 8.69 | 5.31 | 2.33 | 14.55 | 1.83 | NA | NA | NA | NA | NA | 0.00 |
| 4609 | exec - velocity.cpp:332-350 | LAMMPS_NS::Velocity::create(double, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 19.18 | 21.88 | 14.65 | 1 | 2.53 | 8 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
| 8215 | exec - | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 14121 | 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 | 8 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 14123 | exec - group.cpp:875-876 | LAMMPS_NS::Group::mass(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 71.91 | 0 | 9.38 | 1.13 | 1.24 | 10.29 | 2.25 | 0.5 | 1.5 | 0 | 0 | 0.5 | 87.50 |
| 1684 | 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 | 13 | 41.08 | NA | NA | 1 | NA | NA | 1.86 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 8219 | exec - | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7672 | exec - atom.cpp:1923-1924 | LAMMPS_NS::Atom::data_fix_compute_variable(int, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 5 | 0.00 | 0 | 9.38 | 1 | 1 | 12.8 | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
| 8926 | 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 | 8 | 28.77 | 0 | 8.89 | 1 | 1 | 14.38 | 1.6 | NA | NA | NA | NA | NA | 0.00 |
| 1680 | 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 | 57.53 | 0 | 6.25 | 1 | 1 | 16 | 2.2 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 1683 | exec - modify.cpp:455-455 | LAMMPS_NS::Modify::pre_reverse(int, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 9176 | exec - compute.cpp:229-232 | LAMMPS_NS::Compute::matchstep(long) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 0 | 0 | 0 | 1 | 50.00 |
| 8927 | 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 | 4 | 0.00 | 0 | 9 | 1 | 1 | 14.29 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1845 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 100 | 100 | 1.25 | 1 | 1 | 1 | 0 | 1.5 | 0 | 0 | 0 | 100.00 |
| 1976 | exec - | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7662 | exec - atom.cpp:945-945 | LAMMPS_NS::Atom::tag_extend() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 33.33 | 12.5 | 1 | 1 | 10.67 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 1843 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8949 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | NA | NA | NA | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 |
| 2007 | exec - | LAMMPS_NS::Neighbor::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 1413 | exec - stl_tree.h:786-1949 [...] | std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::less<std::__cxx11::basic_string<cha... | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 11.4 | 1 | 1 | 12.11 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1974 | exec - neighbor.cpp:2513-2515 | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
| 7658 | exec - atom.cpp:912-914 | LAMMPS_NS::Atom::tag_check() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 33.33 | 12.5 | 1 | 1 | 8 | 1 | 1 | 2 | 0 | 0 | 0 | 100.00 |
| 19965 | exec - pair_eam.cpp:871-874 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 50 | 18.75 | 1.25 | 1.21 | 5.71 | 1 | 0 | 1 | 0 | 1 | 0 | 75.00 |
| 14437 | exec - integrate.cpp:110-111 | LAMMPS_NS::Integrate::ev_set(long) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 9.38 | 1 | 1 | 14.55 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 1808 | exec - modify.cpp:1449-1450 | LAMMPS_NS::Modify::addstep_compute(long) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 1 | 1 | 50.00 |
| 29396 | exec - pair_eam_intel.cpp:733-758 | void LAMMPS_NS::PairEAMIntel::pack_force_const<float, double>(LAMMPS_NS::PairEAMIntel::ForceConst<float>&, LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 37.5 | 16.15 | 1.55 | 1 | 6.89 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1708 | exec - modify.cpp:471-471 | LAMMPS_NS::Modify::post_force(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 9175 | exec - compute.cpp:201-203 | LAMMPS_NS::Compute::addstep(long) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 26736 | exec - npair_intel.cpp:132-262 [...] | 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) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0.33 | 0 | 0 | 0.67 | 0 | 66.67 |
| 19966 | exec - pair_eam.cpp:857-859 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 47.95 | 0 | 12.5 | 2 | 1.78 | 8 | 2 | 0 | 0 | 0 | 5 | 0 | 50.00 |
| 3841 | exec - lmptype.h:276-290 [...] | LAMMPS_NS::Thermo::compute(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 9.24 | 3.5 | 1 | 14.85 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1973 | 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 | 1 | 0.00 | 0 | 7.38 | 1 | 1 | 15.16 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
| 1332 | exec - stl_tree.h:777-1932 [...] | std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::__cxx11::basic_st... | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.93 | 1 | 1 | 11.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 16312 | exec - random_park.cpp:126-126 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 143.86 | 0 | 12.5 | 1 | 1 | 8 | 4 | NA | NA | NA | NA | NA | 0.00 |
| 10652 | exec - create_atoms.cpp:1469-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 37 | 1870.18 | 12.5 | 10.94 | 2 | 1 | 13.82 | 37 | NA | NA | NA | NA | NA | 0.00 |
| 1336 | exec - stl_tree.h:777-1932 [...] | std::_Rb_tree<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::pair<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > const, std::__cxx11::basic_st... | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.61 | 1 | 1 | 13.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
