| 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 |
|---|
| 32253 | exec - pair_eam_intel.cpp:291-588 [...] | 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 .extracted] | InBetween | 9.18 | 12.90 | 12.90 | 7.92 | 7.92 | 9.20 | 9.20 | 256 | 1356.27 | 97.85 | 61.02 | 1.31 | 1.02 | 1.17 | 1.2 | NA | NA | NA | NA | NA | 0.00 |
| 32252 | exec - pair_eam_intel.cpp:533-588 [...] | 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 .extracted] | Innermost | 4.38 | 6.80 | 6.80 | 3.77 | 3.77 | 4.85 | 4.85 | 256 | 642.94 | 12.5 | 9.38 | 1.05 | 2.41 | 12.5 | 1.08 | 5 | 5 | 0 | 0 | 1 | 90.91 |
| 32257 | exec - pair_eam_intel.cpp:291-521 [...] | 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 | 4.17 | 6.00 | 6.00 | 3.59 | 3.59 | 4.28 | 4.28 | 256 | 1254.44 | 90.1 | 42.09 | 1.03 | 1.03 | 2.05 | 1.17 | 0.5 | 1 | 0 | 0 | 3.5 | 37.50 |
| 32267 | exec - pair_eam_intel.cpp:291-320 [...] | 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 | 3.75 | 5.69 | 5.69 | 3.23 | 3.23 | 4.06 | 4.06 | 256 | 1131.63 | 89.44 | 78.39 | 1.02 | 1 | 1 | 1.11 | 0.5 | 1 | 0 | 0 | 2 | 45.00 |
| 32265 | exec - pair_eam_intel.cpp:291-359 [...] | 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 .extracted] | InBetween | 3.94 | 5.19 | 5.19 | 3.40 | 3.40 | 3.70 | 3.70 | 256 | 1154.24 | 100 | 62.73 | 1.15 | 1 | 1.06 | 1.28 | NA | NA | NA | NA | NA | 0.00 |
| 6423 | exec - fix_nve_intel.cpp:72-80 [...] | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 1.83 | 2.49 | 2.49 | 1.58 | 1.58 | 1.78 | 1.78 | 256 | 140.72 | 90.91 | 92.05 | 1 | 1 | 1.06 | 1.23 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 32221 | 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 | 1.51 | 2.15 | 2.15 | 1.30 | 1.30 | 1.53 | 1.53 | 256 | 0.00 | 40 | 13.75 | 1 | 1 | 5.33 | 1.18 | 0 | 1 | 1 | 4 | 0 | 62.50 |
| 6230 | 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 | 1.52 | 1.98 | 1.98 | 1.32 | 1.32 | 1.41 | 1.41 | 256 | 49.07 | 50 | 18.75 | 1 | 1 | 5.33 | 1.29 | 0 | 1 | 1 | 0 | 0 | 87.50 |
| 32264 | exec - pair_eam_intel.cpp:339-359 [...] | 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 .extracted] | Innermost | 1.16 | 1.60 | 1.60 | 1.00 | 1.00 | 1.14 | 1.14 | 256 | 657.24 | 0 | 7.42 | 1 | 2.05 | 7.33 | 1.22 | 1 | 2 | 0 | 0 | 1 | 75.00 |
| 29020 | 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 | 1.14 | 1.54 | 4.67 | 0.99 | 2.84 | 1.10 | 3.33 | 256 | 878.67 | 65.89 | 60.66 | 1.45 | 1 | 1.1 | 1.24 | NA | NA | NA | NA | NA | 0.00 |
| 6426 | exec - fix_nve_intel.cpp:128-135 [...] | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.20 | 1.39 | 1.39 | 1.03 | 1.03 | 1.00 | 1.00 | 256 | 150.48 | 100 | 100 | 1 | 1 | 1 | 1.45 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 29030 | exec - npair_intel.cpp:330-558 [...] | 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 | 0.93 | 1.30 | 1.30 | 0.81 | 0.81 | 0.93 | 0.93 | 256 | 2719.97 | 92.06 | 70.95 | 1.21 | 1 | 1.21 | 1.21 | 1 | 4.5 | 0 | 0.5 | 1 | 82.29 |
| 29035 | exec - npair_intel.cpp:358-369 [...] | 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 .extracted] | Innermost | 1.11 | 1.05 | 1.05 | 0.96 | 0.96 | 0.75 | 0.75 | 256 | 0.00 | 100 | 78.57 | 1 | 1 | 1 | 1.78 | 0 | 5 | 0 | 0 | 1 | 83.33 |
| 32263 | 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 | 0.76 | 1.02 | 13.50 | 0.65 | 7.54 | 0.73 | 9.64 | 256 | 1475.96 | 43.48 | 24.18 | 1.72 | 1.03 | 1.31 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
| 32251 | exec - pair_eam_intel.cpp:291-606 [...] | 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 .extracted] | Outermost | 0.74 | 0.98 | 26.68 | 0.63 | 15.25 | 0.70 | 19.03 | 256 | 840.79 | 47.37 | 22.92 | 1.49 | 1.04 | 1.39 | 1.26 | NA | NA | NA | NA | NA | 0.00 |
| 29036 | 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 | 0.60 | 0.61 | 0.66 | 0.51 | 0.53 | 0.43 | 0.47 | 256 | 4.03 | 18.75 | 27.41 | 1.43 | 1 | 1.84 | 1.65 | NA | NA | NA | NA | NA | 25.00 |
| 846 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.49 | 0.56 | 0.56 | 0.42 | 0.42 | 0.40 | 0.40 | 256 | 97.23 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.45 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 7238 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.51 | 0.56 | 0.56 | 0.44 | 0.44 | 0.40 | 0.40 | 256 | 48.82 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.53 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 7163 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.53 | 0.50 | 0.50 | 0.46 | 0.46 | 0.35 | 0.35 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.81 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 7997 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.38 | 0.49 | 0.49 | 0.33 | 0.33 | 0.35 | 0.35 | 256 | 0.00 | 0 | 10.94 | 1.3 | 1 | 11.27 | 1.31 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 32226 | exec - pair_eam_intel.cpp:291-596 [...] | 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 .extracted] | InBetween | 0.31 | 0.38 | 0.38 | 0.27 | 0.27 | 0.27 | 0.27 | 256 | 1330.20 | 97.25 | 62.9 | 1.33 | 1.02 | 1.17 | 1.4 | NA | NA | NA | NA | NA | 0.00 |
| 32258 | exec - pair_eam_intel.cpp:433-451 [...] | 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 | 0.28 | 0.31 | 0.31 | 0.25 | 0.25 | 0.22 | 0.22 | 256 | 579.31 | 100 | 82.5 | 1.02 | 1 | 1 | 1.53 | 1 | 0 | 0 | 0 | 4 | 20.00 |
| 6396 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.24 | 0.27 | 0.27 | 0.21 | 0.21 | 0.19 | 0.19 | 256 | 0.00 | 33.33 | 12.5 | 1 | 1 | 5.33 | 1.47 | 0 | 3 | 0 | 4 | 0 | 71.43 |
| 32225 | exec - pair_eam_intel.cpp:533-596 [...] | 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 .extracted] | Innermost | 0.19 | 0.20 | 0.20 | 0.16 | 0.16 | 0.14 | 0.14 | 256 | 760.28 | 20.91 | 10.87 | 1.06 | 2.46 | 10.29 | 1.57 | 6 | 5 | 0 | 0 | 1 | 91.67 |
| 855 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.18 | 0.19 | 0.19 | 0.16 | 0.16 | 0.14 | 0.14 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.56 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 32231 | exec - pair_eam_intel.cpp:291-521 [...] | 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 | 0.17 | 0.17 | 0.17 | 0.15 | 0.15 | 0.12 | 0.12 | 256 | 1235.60 | 90.1 | 42.09 | 1.03 | 1.03 | 2.05 | 1.71 | 1 | 1 | 0 | 2.5 | 1 | 55.56 |
| 7993 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.15 | 0.17 | 0.17 | 0.13 | 0.13 | 0.12 | 0.12 | 256 | 0.00 | 0 | 9.38 | 2.33 | 1 | 13.96 | 1.52 | NA | NA | NA | NA | NA | 0.00 |
| 32242 | exec - pair_eam_intel.cpp:291-320 [...] | 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 | 0.16 | 0.16 | 0.16 | 0.14 | 0.14 | 0.11 | 0.11 | 256 | 1116.02 | 89.44 | 78.39 | 1.02 | 1 | 1 | 1.65 | 1 | 1 | 0 | 1 | 1 | 58.33 |
| 32240 | exec - pair_eam_intel.cpp:291-359 [...] | 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 .extracted] | InBetween | 0.14 | 0.14 | 0.14 | 0.12 | 0.12 | 0.10 | 0.10 | 256 | 1127.72 | 100 | 62.73 | 1.15 | 1 | 1.06 | 1.62 | NA | NA | NA | NA | NA | 0.00 |
| 5424 | exec - domain_omp.cpp:69-150 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.13 | 0.13 | 0.13 | 0.12 | 0.12 | 0.09 | 0.09 | 256 | 0.09 | 13.64 | 11.93 | 1.35 | 1.61 | 10.29 | 1.72 | NA | NA | NA | NA | NA | 0.00 |
| 6896 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.12 | 0.09 | 0.09 | 0.10 | 0.10 | 0.07 | 0.07 | 256 | 260.55 | 0 | 8.75 | 1.67 | 1.96 | 12.8 | 2.1 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 22430 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.12 | 0.09 | 0.09 | 0.10 | 0.10 | 0.06 | 0.06 | 256 | 103.69 | 0 | 12.5 | 1 | 1.41 | 8 | 2.2 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6389 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.10 | 0.09 | 0.09 | 0.09 | 0.09 | 0.06 | 0.06 | 256 | 209.35 | 0 | 8.04 | 1 | 1 | 14.48 | 1.89 | 2 | 0 | 0 | 2 | 4 | 37.50 |
| 7164 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.24 | 0.08 | 0.08 | 0.20 | 0.20 | 0.06 | 0.06 | 184 | 43.42 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.54 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 7285 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.10 | 0.08 | 0.08 | 0.09 | 0.09 | 0.06 | 0.06 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 2.17 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 7253 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.10 | 0.07 | 0.07 | 0.09 | 0.09 | 0.05 | 0.05 | 254 | 0.00 | 0 | 12.5 | 2.07 | 1 | 8 | 2.29 | 1 | 1 | 12 | 2 | 4 | 60.00 |
| 6388 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.08 | 0.06 | 0.06 | 0.07 | 0.07 | 0.04 | 0.04 | 256 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.42 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 6307 | 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 | 0.06 | 0.05 | 0.05 | 0.05 | 0.05 | 0.04 | 0.04 | 256 | 228.71 | 7.14 | 15.18 | 1 | 1 | 4.28 | 1.99 | 3 | 2 | 0 | 0 | 0 | 100.00 |
| 29037 | exec - npair_intel.cpp:348-354 | 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 | 0.06 | 0.05 | 0.05 | 0.05 | 0.05 | 0.03 | 0.03 | 249 | 1.15 | 100 | 100 | 1 | 1 | 1 | 2.14 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 32239 | exec - pair_eam_intel.cpp:329-359 [...] | 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 .extracted] | Innermost | 0.07 | 0.05 | 0.05 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 670.68 | 0 | 7.42 | 1 | 2.05 | 7.33 | 2.58 | 1 | 2 | 0 | 0 | 1 | 75.00 |
| 6895 | exec - atom.cpp:2439-2440 | LAMMPS_NS::Atom::sort() | Innermost | 0.06 | 0.04 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 253 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.2 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 29021 | 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 | 0.07 | 0.04 | 0.04 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 456.45 | 0 | 6.25 | 1 | 1 | 16 | 2.68 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6387 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.06 | 0.04 | 0.10 | 0.05 | 0.10 | 0.03 | 0.07 | 253 | 0.00 | 0 | 7.5 | 1 | 1 | 15.41 | 2.26 | NA | NA | NA | NA | NA | 0.00 |
| 32214 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.06 | 0.04 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 249 | 0.00 | 100 | 55 | 1 | 1 | 1.5 | 2.55 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6891 | exec - atom.cpp:2460-2466 | LAMMPS_NS::Atom::sort() | Innermost | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.03 | 0.03 | 253 | 0.00 | 0 | 7.03 | 1 | 1 | 15.38 | 2.02 | 1 | 0 | 0 | 4 | 3 | 37.50 |
| 32224 | 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 | 0.06 | 0.03 | 0.78 | 0.05 | 0.46 | 0.02 | 0.55 | 256 | 859.44 | 53.76 | 24.13 | 1.06 | 1.08 | 1.71 | 3.08 | NA | NA | NA | NA | NA | 0.00 |
| 29029 | 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 | 0.05 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 1965.40 | 28.64 | 11.02 | 1.39 | 2.86 | 11.51 | 2.89 | 1 | 4.5 | 0 | 0 | 1.5 | 79.17 |
| 29032 | exec - npair_intel.cpp:387-398 | 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 | 0.05 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 242 | 0.00 | 0 | 6.25 | 1.78 | 1 | 16 | 2.74 | 1 | 5 | 0 | 0 | 1 | 85.71 |
| 32238 | 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 | 0.05 | 0.03 | 0.38 | 0.05 | 0.22 | 0.02 | 0.27 | 256 | 1517.70 | 37.04 | 21.76 | 1.72 | 1.03 | 1.34 | 2.98 | NA | NA | NA | NA | NA | 0.00 |
| 9626 | exec - compute_temp.cpp:85-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.05 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 143.92 | 100 | 76.07 | 1.01 | 1 | 1.01 | 2.76 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 6894 | exec - atom.cpp:2437-2440 | LAMMPS_NS::Atom::sort() | Outermost | 0.05 | 0.03 | 0.07 | 0.05 | 0.08 | 0.02 | 0.05 | 233 | 0.00 | 0 | 7.5 | 1 | 1 | 15.41 | 2.85 | NA | NA | NA | NA | NA | 0.00 |
| 32217 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.05 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 242 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.69 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 6890 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.03 | 0.02 | 0.06 | 0.03 | 0.06 | 0.01 | 0.04 | 214 | 0.00 | 6.82 | 9.52 | 1 | 1 | 13.47 | 2.86 | NA | NA | NA | NA | NA | 65.00 |
| 32232 | exec - pair_eam_intel.cpp:433-461 [...] | 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 .extracted] | Single | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 941.35 | 100 | 78.41 | 1.07 | 1 | 1.06 | 3.58 | 1 | 0 | 0 | 0 | 5 | 16.67 |
| 7254 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.05 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 184 | 59.24 | 0 | 12.5 | 2.07 | 1.61 | 8 | 4.57 | 1 | 1 | 12 | 2 | 4 | 60.00 |
| 29034 | exec - npair_intel.cpp:358-369 [...] | 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 .extracted] | Innermost | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 167 | 0.00 | 0 | 6.25 | 1.44 | 1 | 16 | 3.27 | 1 | 5 | 0 | 0 | 0 | 100.00 |
| 29022 | 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 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 243 | 529.55 | 100 | 50 | 1 | 1 | 2 | 4.21 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 3567 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 131 | 7.23 | 1.1 | 7.28 | 3.26 | 1 | 15.72 | 3.21 | NA | NA | NA | NA | NA | 0.00 |
| 6892 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 64 | 0.00 | 66.67 | 35.42 | 1 | 1 | 4 | 1.75 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 9952 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 723.65 | 6.78 | 10.91 | 1.6 | 1.81 | 12.56 | 7.42 | NA | NA | NA | NA | NA | 0.00 |
| 7992 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 50 | 0.00 | 0 | 12.5 | 1.16 | 1 | 8 | 2.63 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 7989 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 47 | 0.00 | 0 | 6.82 | 1 | 1 | 16 | 2.56 | NA | NA | NA | NA | NA | 0.00 |
| 3960 | exec - memory.h:190-191 | double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 44 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.12 | 1.87 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7990 | 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 | 30 | 4.09 | 0 | 8.21 | 1 | 1 | 15.02 | 2.22 | NA | NA | NA | NA | NA | 0.00 |
| 635 | 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 | 19 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.81 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 984 | 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 | 19 | 0.00 | 100 | 55 | 1 | 1 | 1.5 | 1.9 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 7996 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.49 | 0.01 | 0.31 | 0.00 | 0.35 | 14 | 0.00 | 1.2 | 8.81 | 3.7 | 1 | 14.45 | 1.75 | NA | NA | NA | NA | NA | 0.00 |
