| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime orig_0 (%) | Exclusive Coverage orig_0 (%) | Inclusive Coverage orig_0 (%) | Max Exclusive Time Over Threads orig_0 (s) | Max Inclusive Time Over Threads orig_0 (s) | Exclusive Time w.r.t. Wall Time orig_0 (s) | Inclusive Time w.r.t. Wall Time orig_0 (s) | Nb Threads orig_0 | GFLOPS orig_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing orig_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 31991 | exec - pair_eam_intel.cpp:291-605 [...] | 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 .extracted] | Outermost | 11.24 | 15.57 | 34.76 | 5.71 | 13.00 | 5.40 | 12.06 | 256 | 2298.51 | 86.43 | 64.13 | 1.15 | 1.01 | 1.06 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 31993 | exec - pair_eam_intel.cpp:545-602 [...] | 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 .extracted] | Innermost | 8.63 | 10.33 | 10.33 | 4.38 | 4.38 | 3.58 | 3.58 | 256 | 2417.88 | 100 | 82.64 | 1.02 | 1 | 1.02 | 1.24 | 1 | 5 | 0 | 0 | 4 | 60.00 |
| 31992 | exec - pair_eam_intel.cpp:513-521 | 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 .extracted] | Innermost | 7.75 | 8.86 | 8.86 | 3.93 | 3.93 | 3.07 | 3.07 | 256 | 1776.24 | 100 | 89.29 | 1 | 1 | 1 | 1.3 | 0 | 1 | 0 | 0 | 6 | 14.29 |
| 32001 | 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 .extracted] | Outermost | 5.94 | 8.09 | 21.17 | 3.02 | 7.55 | 2.81 | 7.34 | 256 | 2091.25 | 77.11 | 59.71 | 1.14 | 1 | 1.15 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
| 32002 | exec - pair_eam_intel.cpp:312-320 | 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 .extracted] | Innermost | 6.32 | 7.99 | 7.99 | 3.21 | 3.21 | 2.77 | 2.77 | 256 | 1513.55 | 100 | 87.5 | 1 | 1 | 1 | 1.18 | 0 | 1 | 0 | 0 | 3 | 25.00 |
| 32003 | exec - pair_eam_intel.cpp:340-361 [...] | 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 .extracted] | Innermost | 3.94 | 5.09 | 5.09 | 2.00 | 2.00 | 1.77 | 1.77 | 256 | 1267.01 | 100 | 81.25 | 1.1 | 1 | 1.05 | 1.15 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 6508 | exec - fix_nve_intel.cpp:79-81 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 3.53 | 4.33 | 4.33 | 1.79 | 1.79 | 1.50 | 1.50 | 256 | 166.61 | 90.91 | 92.05 | 1 | 1 | 1.06 | 1.21 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 6310 | 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 .extracted] | Single | 3.31 | 3.89 | 3.89 | 1.68 | 1.68 | 1.35 | 1.35 | 256 | 51.94 | 97.06 | 90.81 | 1 | 1 | 1.05 | 1.27 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 31965 | 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 .extracted] | Single | 2.77 | 3.59 | 3.59 | 1.40 | 1.40 | 1.24 | 1.24 | 256 | 0.00 | 100 | 84.72 | 1 | 1 | 1 | 1.15 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 6511 | exec - fix_nve_intel.cpp:135-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 2.18 | 2.38 | 2.38 | 1.10 | 1.10 | 0.82 | 0.82 | 256 | 182.47 | 100 | 100 | 1 | 1 | 1 | 1.37 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 28365 | exec - npair_intel.cpp:330-761 [...] | 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 .extracted] | Outermost | 1.79 | 2.26 | 6.22 | 0.91 | 2.28 | 0.78 | 2.16 | 256 | 1745.78 | 52.79 | 47.98 | 1.11 | 1 | 1.13 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
| 28379 | exec - npair_intel.cpp:366-371 | 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 .extracted] | Innermost | 1.32 | 1.65 | 1.65 | 0.67 | 0.67 | 0.57 | 0.57 | 256 | 0.00 | 100 | 78.57 | 1 | 1 | 1 | 1.19 | 0 | 5 | 0 | 0 | 1 | 83.33 |
| 28374 | 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 .extracted] | Innermost | 1.08 | 1.32 | 1.32 | 0.55 | 0.55 | 0.46 | 0.46 | 256 | 4807.51 | 100 | 76.32 | 1.15 | 1 | 1.21 | 1.23 | 0 | 5 | 0 | 0 | 2 | 71.43 |
| 7359 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 1.00 | 0.96 | 0.96 | 0.50 | 0.50 | 0.33 | 0.33 | 256 | 59.02 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.55 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 816 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.91 | 0.92 | 0.92 | 0.46 | 0.46 | 0.32 | 0.32 | 256 | 124.71 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.47 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 28380 | exec - npair_intel.cpp:330-354 [...] | 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 .extracted] | InBetween | 0.84 | 0.80 | 0.87 | 0.42 | 0.47 | 0.28 | 0.30 | 256 | 8.41 | 17.14 | 24.94 | 1.86 | 1 | 1.86 | 1.56 | NA | NA | NA | NA | NA | 25.00 |
| 7276 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.83 | 0.78 | 0.78 | 0.42 | 0.42 | 0.27 | 0.27 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.57 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 8123 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.68 | 0.75 | 0.75 | 0.34 | 0.34 | 0.26 | 0.26 | 256 | 0.00 | 0 | 10.94 | 1.3 | 1 | 11.27 | 1.35 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 31994 | exec - pair_eam_intel.cpp:440-464 [...] | 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 .extracted] | Single | 0.45 | 0.47 | 0.47 | 0.23 | 0.23 | 0.16 | 0.16 | 256 | 813.86 | 100 | 83.62 | 1 | 1 | 1 | 1.45 | 0 | 0 | 0 | 0 | 4 | 0.00 |
| 31969 | exec - pair_eam_intel.cpp:291-614 [...] | 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 .extracted] | Outermost | 0.38 | 0.41 | 0.96 | 0.19 | 0.37 | 0.14 | 0.33 | 256 | 2793.45 | 86.72 | 61.14 | 1.16 | 1 | 1.14 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
| 6483 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.38 | 0.38 | 0.38 | 0.19 | 0.19 | 0.13 | 0.13 | 256 | 0.00 | 100 | 54.31 | 1 | 1 | 1.3 | 1.5 | 0 | 3 | 0 | 0 | 2 | 60.00 |
| 825 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.33 | 0.32 | 0.32 | 0.17 | 0.17 | 0.11 | 0.11 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.55 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 31971 | exec - pair_eam_intel.cpp:533-602 [...] | 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 .extracted] | Innermost | 0.31 | 0.29 | 0.29 | 0.16 | 0.16 | 0.10 | 0.10 | 256 | 2406.38 | 99.14 | 80.67 | 1.11 | 1 | 1.07 | 1.57 | 2 | 5 | 0 | 0 | 4 | 63.64 |
| 31970 | exec - pair_eam_intel.cpp:513-521 | 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 .extracted] | Innermost | 0.27 | 0.26 | 0.26 | 0.13 | 0.13 | 0.09 | 0.09 | 256 | 1680.26 | 100 | 89.29 | 1 | 1 | 1 | 1.54 | 0 | 1 | 0 | 0 | 6 | 14.29 |
| 8119 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.29 | 0.24 | 0.24 | 0.15 | 0.15 | 0.08 | 0.08 | 256 | 0.00 | 0 | 9.17 | 2.1 | 1 | 14.44 | 1.78 | NA | NA | NA | NA | NA | 0.00 |
| 31980 | 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 .extracted] | Outermost | 0.24 | 0.23 | 0.60 | 0.12 | 0.22 | 0.08 | 0.21 | 256 | 2068.14 | 78.05 | 60.29 | 1.14 | 1 | 1.14 | 1.54 | NA | NA | NA | NA | NA | 0.00 |
| 31981 | exec - pair_eam_intel.cpp:312-320 | 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 .extracted] | Innermost | 0.28 | 0.23 | 0.23 | 0.14 | 0.14 | 0.08 | 0.08 | 256 | 1490.39 | 100 | 87.5 | 1 | 1 | 1 | 1.8 | 0 | 1 | 0 | 0 | 3 | 25.00 |
| 5454 | exec - domain_omp.cpp:56-57 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.26 | 0.19 | 0.19 | 0.13 | 0.13 | 0.07 | 0.07 | 256 | 0.00 | 66.67 | 68.75 | 1.5 | 1 | 1 | 1.98 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6475 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.21 | 0.16 | 0.16 | 0.11 | 0.11 | 0.06 | 0.06 | 256 | 210.48 | 0 | 8.33 | 1 | 1 | 14.48 | 1.88 | 2 | 0 | 0 | 5 | 1 | 56.25 |
| 21587 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.19 | 0.15 | 0.15 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 124.47 | 0 | 12.5 | 1 | 1.41 | 8 | 1.88 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 31982 | exec - pair_eam_intel.cpp:340-361 [...] | 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 .extracted] | Innermost | 0.20 | 0.14 | 0.14 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 1266.21 | 100 | 81.25 | 1.1 | 1 | 1.05 | 2.06 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 7277 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.50 | 0.14 | 0.14 | 0.25 | 0.25 | 0.05 | 0.05 | 184 | 54.03 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.9 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 6986 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.19 | 0.14 | 0.14 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 367.86 | 0 | 8.84 | 1.7 | 2 | 12.8 | 2.05 | 1 | 0 | 0 | 4 | 0 | 60.00 |
| 7412 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.20 | 0.13 | 0.13 | 0.10 | 0.10 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 2.32 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 5452 | exec - domain_omp.cpp:71-153 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.15 | 0.11 | 0.11 | 0.07 | 0.07 | 0.04 | 0.04 | 255 | 0.21 | 13.64 | 11.93 | 1.35 | 1.61 | 10.29 | 2 | NA | NA | NA | NA | NA | 0.00 |
| 7376 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.14 | 0.10 | 0.10 | 0.07 | 0.07 | 0.03 | 0.03 | 256 | 0.00 | 0 | 12.5 | 1.29 | 1 | 8 | 2.06 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 6391 | 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 | 0.12 | 0.09 | 0.09 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 281.99 | 10.34 | 18.1 | 1 | 1.08 | 3.71 | 1.93 | 3 | 2 | 0 | 0 | 0 | 100.00 |
| 6474 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.13 | 0.09 | 0.09 | 0.06 | 0.06 | 0.03 | 0.03 | 254 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 2.17 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 28381 | 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 .extracted] | Innermost | 0.13 | 0.07 | 0.07 | 0.06 | 0.06 | 0.02 | 0.02 | 256 | 1.94 | 100 | 100 | 1 | 1 | 1 | 2.67 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 6473 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.11 | 0.07 | 0.16 | 0.05 | 0.10 | 0.02 | 0.05 | 255 | 0.00 | 0 | 7.5 | 1 | 1 | 15.36 | 2.38 | NA | NA | NA | NA | NA | 0.00 |
| 28366 | exec - npair_intel.cpp:730-731 | 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 .extracted] | Innermost | 0.11 | 0.07 | 0.07 | 0.06 | 0.06 | 0.02 | 0.02 | 256 | 1806.87 | 0 | 6.25 | 1 | 1 | 16 | 2.44 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 31957 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.06 | 0.06 | 0.06 | 0.06 | 0.02 | 0.02 | 248 | 0.00 | 100 | 55 | 1 | 1 | 1.5 | 2.75 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6985 | exec - atom.cpp:2439-2440 | LAMMPS_NS::Atom::sort() | Innermost | 0.10 | 0.06 | 0.06 | 0.05 | 0.05 | 0.02 | 0.02 | 253 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 2.5 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 6981 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.10 | 0.06 | 0.06 | 0.05 | 0.05 | 0.02 | 0.02 | 254 | 0.00 | 0 | 7.03 | 1 | 1 | 15.38 | 2.53 | 1 | 0 | 0 | 4 | 3 | 37.50 |
| 9809 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.08 | 0.05 | 0.05 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 196.12 | 100 | 75.69 | 1.01 | 1 | 1.01 | 2.41 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 31960 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.10 | 0.04 | 0.04 | 0.05 | 0.05 | 0.02 | 0.02 | 241 | 0.00 | 100 | 75 | 1 | 1 | 1 | 3.19 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 6984 | exec - atom.cpp:2437-2440 | LAMMPS_NS::Atom::sort() | Outermost | 0.09 | 0.04 | 0.10 | 0.05 | 0.08 | 0.01 | 0.04 | 239 | 0.00 | 0 | 7.5 | 1 | 1 | 15.36 | 2.86 | NA | NA | NA | NA | NA | 0.00 |
| 28376 | 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 .extracted] | Innermost | 0.08 | 0.04 | 0.04 | 0.04 | 0.04 | 0.01 | 0.01 | 240 | 0.00 | 0 | 6.25 | 1.78 | 1 | 16 | 2.73 | 1 | 5 | 0 | 0 | 1 | 85.71 |
| 6980 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.07 | 0.02 | 0.08 | 0.04 | 0.07 | 0.01 | 0.03 | 196 | 0.00 | 6.82 | 9.52 | 1 | 1 | 13.47 | 3.18 | NA | NA | NA | NA | NA | 65.00 |
| 31972 | exec - pair_eam_intel.cpp:440-464 | 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 .extracted] | Single | 0.05 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 1249.89 | 100 | 79.76 | 1.07 | 1 | 1.07 | 3.68 | 0 | 0 | 0 | 0 | 5 | 0.00 |
| 7377 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.06 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.01 | 179 | 87.76 | 0 | 12.5 | 1.29 | 1 | 8 | 3.64 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 28378 | exec - npair_intel.cpp:358-371 [...] | 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 .extracted] | Innermost | 0.05 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 149 | 0.00 | 0 | 6.25 | 1.44 | 1 | 16 | 3.33 | 1 | 5 | 0 | 0 | 0 | 100.00 |
| 3566 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.05 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 158 | 7.33 | 0 | 7.14 | 3.21 | 1 | 15.65 | 3.66 | NA | NA | NA | NA | NA | 0.00 |
| 28367 | exec - npair_intel.cpp:730-731 | 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 .extracted] | Innermost | 0.05 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 255 | 4960.28 | 100 | 50 | 1 | 1 | 2 | 10.12 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 3219 | 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 | 72 | 0.00 | 92.31 | 74.04 | 1.14 | 1 | 1.07 | 1 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 6982 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.03 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 56 | 0.00 | 66.67 | 35.42 | 1 | 1 | 4 | 2.63 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 10143 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 1366.80 | 6.45 | 10.99 | 1.56 | 1.82 | 12.64 | 9.14 | NA | NA | NA | NA | NA | 0.00 |
| 8118 | 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 | 49 | 0.00 | 0 | 12.5 | 1.2 | 1 | 8 | 1.78 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 4005 | exec - memory.h:190-191 | double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 47 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.12 | 1.88 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8115 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.03 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 41 | 0.00 | 0 | 6.82 | 1 | 1 | 16 | 2.73 | NA | NA | NA | NA | NA | 0.00 |
| 3558 | 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 | 256 | 153.21 | 0 | 11.36 | 1.25 | 1.22 | 10.01 | 6.1 | 0.75 | 1.25 | 0.5 | 1 | 0 | 85.63 |
| 14160 | 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 | 38 | 0.00 | 100 | 73.12 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 3563 | 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 | 32 | 0.00 | 40 | 16.56 | 1.2 | 1.5 | 7.38 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 959 | 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 | 27 | 0.00 | 100 | 71.88 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 8116 | exec - comm_brick.cpp:612-637 | LAMMPS_NS::CommBrick::reverse_comm() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 28 | 3.87 | 0 | 8.21 | 1 | 1 | 15.02 | 2.15 | NA | NA | NA | NA | NA | 0.00 |
| 3489 | exec - velocity.cpp:332-349 | LAMMPS_NS::Velocity::create(double, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 490.67 | 0 | 12.13 | 1 | 1.62 | 3.85 | 10.24 | 2.33 | 3 | 0 | 0.67 | 0.67 | 88.89 |
| 8122 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.02 | 0.00 | 0.75 | 0.01 | 0.31 | 0.00 | 0.26 | 15 | 0.00 | 1.2 | 8.43 | 3.46 | 1 | 14.66 | 1.87 | NA | NA | NA | NA | NA | 0.00 |
| 14138 | 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 | 13 | 0.00 | 66.67 | 67.71 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 610 | 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 | 12 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 609 | 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 | 12 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 14142 | 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 | 10 | 0.00 | 100 | 73.08 | 1.11 | 1 | 1.25 | 1 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7015 | 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 | 10 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 821 | 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 | 9 | 0.00 | 50 | 15.63 | 1 | 1 | 13.18 | 1 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 820 | 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 | 8 | 0.00 | 26.73 | 12.25 | 1 | 1 | 13.18 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
| 612 | 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 | 10 | 50.27 | NA | NA | 1 | NA | NA | 1.25 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 603 | 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 | 75.41 | 0 | 6.25 | 1 | 1 | 16 | 1.38 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 785 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0.00 | 66.67 | 70.83 | 1 | 1 | 1.23 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8132 | 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 | 7 | 0.00 | 0 | 8.04 | 1 | 1 | 15.26 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 206 | exec - new_allocator.h:145-145 [...] | 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... | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 14424 | exec - integrate.cpp:110-111 [...] | LAMMPS_NS::Integrate::ev_set(long) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 6 | 0.00 | 0 | 9.38 | 1 | 1 | 14.22 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 8133 | 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 | 7 | 18.85 | 0 | 8.85 | 1 | 1 | 14.81 | 1.75 | NA | NA | NA | NA | NA | 0.00 |
| 826 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 66.67 | 70.83 | 1 | 1 | 1.23 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 31964 | 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 .extracted] | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 40 | 13.75 | 1 | 1 | 5.33 | 1 | 0 | 1 | 1 | 1 | 0 | 75.00 |
| 33516 | exec - | __libirc_libc_getenv_from_proc | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 7097 | exec - atom.cpp:1923-1924 | LAMMPS_NS::Atom::data_fix_compute_variable(int, int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 0 | 11.81 | 1 | 1 | 12.5 | 1 | 1 | 0 | 0 | 16 | 0 | 52.94 |
| 7011 | exec - atom.cpp:971-971 | LAMMPS_NS::Atom::tag_extend() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 8.44 | 1 | 1 | 14.15 | 1 | 0.5 | 1 | 0 | 0 | 0 | 100.00 |
| 479 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 50 | 28.13 | 1.5 | 1 | 11.08 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 481 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 21641 | exec - pair_eam.cpp:850-850 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 32239 | 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 | 2 | 0.00 | 36 | 15.75 | 1.75 | 1 | 6 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8117 | exec - comm_brick.cpp:698-758 [...] | LAMMPS_NS::CommBrick::exchange() | Outermost | 0.01 | 0.00 | 0.24 | 0.00 | 0.11 | 0.00 | 0.08 | 2 | 0.00 | 0 | 8.43 | 6.08 | 1 | 14.41 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 207 | exec - stl_tree.h:1270-1905 [...] | 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 | 11.52 | 1 | 1 | 12.8 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 2929 | exec - thermo.cpp:423-436 | LAMMPS_NS::Thermo::compute(int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 5.8 | 1 | 1 | 43.03 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8121 | exec - comm_brick.cpp:795-961 [...] | LAMMPS_NS::CommBrick::borders() | Outermost | 0.01 | 0.00 | 0.75 | 0.01 | 0.24 | 0.00 | 0.26 | 1 | 0.00 | 0 | 7.5 | 1 | 1 | 14.22 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 35 | exec - input.cpp:449-467 | LAMMPS_NS::Input::parse() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 9.62 | 1 | 1 | 14.93 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 21638 | exec - pair_eam.cpp:857-859 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 50.27 | 0 | 12.5 | 1 | 1.45 | 8 | 3 | 0 | 1 | 0 | 8 | 0 | 55.56 |
| 7013 | exec - atom.cpp:958-958 | LAMMPS_NS::Atom::tag_extend() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 66.67 | 67.19 | 1.2 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 21616 | exec - pair_eam.cpp:757-786 [...] | LAMMPS_NS::PairEAM::file2array() | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 62.79 | 19.62 | 1 | 1.9 | 3.63 | 1 | 3 | 1 | 0 | 2 | 0 | 83.33 |
| 10142 | exec - create_atoms.cpp:1469-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 38 | 955.19 | 14.29 | 10.71 | 1.67 | 1 | 11.79 | 38 | NA | NA | NA | NA | NA | 0.00 |
| 6393 | 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 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | NA | NA | 1 | NA | NA | 1 | NA | NA | NA | NA | NA | 0.00 |
| 6309 | 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 .extracted] | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 50 | 18.75 | 1.13 | 1.13 | 6 | 1 | 0 | 1 | 1 | 0 | 0 | 87.50 |
| 739 | exec - modify.cpp:1823-1823 | LAMMPS_NS::Modify::memory_usage() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1.4 | 2.2 | 8 | 1 | 2 | 1 | 0 | 1 | 0 | 87.50 |
| 725 | exec - modify.cpp:1429-1430 | LAMMPS_NS::Modify::clearstep_compute() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 1 | 0 | 75.00 |
| 8074 | exec - comm_brick.cpp:418-476 [...] | LAMMPS_NS::CommBrick::setup() | InBetween | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 3.61 | 9.71 | 2.07 | 2.56 | 13.84 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 157 | exec - new_allocator.h:145-145 [...] | std::vector<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, std::allocator<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> > > >::~vector() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
| 14422 | exec - integrate.cpp:126-127 [...] | LAMMPS_NS::Integrate::ev_set(long) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 9.38 | 1 | 1 | 14.22 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
