| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime icx_2 (%) | Exclusive Coverage icx_2 (%) | Inclusive Coverage icx_2 (%) | Max Exclusive Time Over Threads icx_2 (s) | Max Inclusive Time Over Threads icx_2 (s) | Exclusive Time w.r.t. Wall Time icx_2 (s) | Inclusive Time w.r.t. Wall Time icx_2 (s) | Nb Threads icx_2 | GFLOPS icx_2 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing icx_2 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 32142 | 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 | 8.23 | 11.29 | 11.29 | 7.95 | 7.95 | 9.47 | 9.47 | 256 | 1323.61 | 97.85 | 61.02 | 1.31 | 1.02 | 1.17 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
| 32141 | 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 | 4.03 | 5.89 | 5.89 | 3.89 | 3.89 | 4.94 | 4.94 | 256 | 633.71 | 12.5 | 9.38 | 1.05 | 2.41 | 12.5 | 1.11 | 5 | 5 | 0 | 0 | 1 | 90.91 |
| 32146 | 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 | 3.80 | 5.23 | 5.23 | 3.66 | 3.66 | 4.39 | 4.39 | 256 | 1229.17 | 90.1 | 42.09 | 1.03 | 1.03 | 2.05 | 1.17 | 0.5 | 1 | 0 | 0 | 3.5 | 37.50 |
| 32156 | 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 | 3.40 | 4.90 | 4.90 | 3.28 | 3.28 | 4.11 | 4.11 | 256 | 1119.47 | 89.44 | 78.39 | 1.02 | 1 | 1 | 1.12 | 0.5 | 1 | 0 | 0 | 2 | 45.00 |
| 32154 | 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 | 3.44 | 4.53 | 4.53 | 3.32 | 3.32 | 3.80 | 3.80 | 256 | 1132.52 | 100 | 62.73 | 1.15 | 1 | 1.06 | 1.23 | NA | NA | NA | NA | NA | 0.00 |
| 6404 | exec - fix_nve_intel.cpp:72-80 [...] | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 1.68 | 2.22 | 2.22 | 1.63 | 1.63 | 1.86 | 1.86 | 256 | 135.00 | 90.91 | 92.05 | 1 | 1 | 1.06 | 1.23 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 32110 | 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 | 1.35 | 1.91 | 1.91 | 1.30 | 1.30 | 1.60 | 1.60 | 256 | 0.00 | 40 | 13.75 | 1 | 1 | 5.33 | 1.14 | 0 | 1 | 1 | 4 | 0 | 62.50 |
| 6211 | 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 | 1.39 | 1.63 | 1.63 | 1.34 | 1.34 | 1.37 | 1.37 | 256 | 50.90 | 50 | 18.75 | 1 | 1 | 5.33 | 1.37 | 0 | 1 | 1 | 0 | 0 | 87.50 |
| 32153 | 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 | 1.03 | 1.37 | 1.37 | 0.99 | 0.99 | 1.15 | 1.15 | 256 | 654.36 | 0 | 7.42 | 1 | 2.05 | 7.33 | 1.21 | 1 | 2 | 0 | 0 | 1 | 75.00 |
| 28924 | 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 | 0.99 | 1.35 | 4.05 | 0.96 | 2.62 | 1.13 | 3.40 | 256 | 854.25 | 65.89 | 60.66 | 1.45 | 1 | 1.1 | 1.19 | NA | NA | NA | NA | NA | 0.00 |
| 6407 | exec - fix_nve_intel.cpp:128-135 [...] | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.08 | 1.24 | 1.24 | 1.04 | 1.04 | 1.04 | 1.04 | 256 | 144.28 | 100 | 100 | 1 | 1 | 1 | 1.41 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 28934 | 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 | 0.86 | 1.14 | 1.14 | 0.83 | 0.83 | 0.96 | 0.96 | 256 | 2650.37 | 92.06 | 70.95 | 1.21 | 1 | 1.21 | 1.23 | 1 | 4.5 | 0 | 0.5 | 1 | 82.29 |
| 28939 | 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 | 0.67 | 0.90 | 0.90 | 0.65 | 0.65 | 0.75 | 0.75 | 256 | 0.00 | 100 | 78.57 | 1 | 1 | 1 | 1.22 | 0 | 5 | 0 | 0 | 1 | 83.33 |
| 32152 | 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 | 0.68 | 0.89 | 11.68 | 0.66 | 7.63 | 0.75 | 9.80 | 256 | 1458.78 | 43.48 | 24.18 | 1.72 | 1.03 | 1.31 | 1.24 | NA | NA | NA | NA | NA | 0.00 |
| 32140 | 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 | 0.69 | 0.85 | 23.27 | 0.67 | 15.72 | 0.71 | 19.52 | 256 | 829.39 | 47.37 | 22.92 | 1.49 | 1.04 | 1.39 | 1.31 | NA | NA | NA | NA | NA | 0.00 |
| 28940 | 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 | 0.49 | 0.52 | 0.56 | 0.47 | 0.49 | 0.44 | 0.47 | 256 | 3.62 | 18.75 | 27.41 | 1.43 | 1 | 1.84 | 1.52 | NA | NA | NA | NA | NA | 25.00 |
| 843 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.44 | 0.49 | 0.49 | 0.42 | 0.42 | 0.41 | 0.41 | 256 | 96.47 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.46 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 7219 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.52 | 0.47 | 0.47 | 0.50 | 0.50 | 0.39 | 0.39 | 256 | 50.03 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.79 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 7144 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.43 | 0.44 | 0.44 | 0.41 | 0.41 | 0.37 | 0.37 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.56 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 7976 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.35 | 0.41 | 0.41 | 0.34 | 0.34 | 0.35 | 0.35 | 256 | 0.00 | 0 | 10.94 | 1.3 | 1 | 11.27 | 1.38 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 32115 | 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 | 0.29 | 0.32 | 0.32 | 0.28 | 0.28 | 0.27 | 0.27 | 256 | 1317.97 | 97.25 | 62.9 | 1.33 | 1.02 | 1.17 | 1.45 | NA | NA | NA | NA | NA | 0.00 |
| 32147 | 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 | 0.26 | 0.26 | 0.26 | 0.26 | 0.26 | 0.22 | 0.22 | 256 | 585.98 | 100 | 82.5 | 1.02 | 1 | 1 | 1.62 | 1 | 0 | 0 | 0 | 4 | 20.00 |
| 6377 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.22 | 0.25 | 0.25 | 0.21 | 0.21 | 0.21 | 0.21 | 256 | 0.00 | 33.33 | 12.5 | 1 | 1 | 5.33 | 1.45 | 0 | 3 | 0 | 4 | 0 | 71.43 |
| 852 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.18 | 0.17 | 0.17 | 0.17 | 0.17 | 0.14 | 0.14 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.67 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 32114 | 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 | 0.16 | 0.16 | 0.16 | 0.15 | 0.15 | 0.14 | 0.14 | 256 | 785.20 | 20.91 | 10.87 | 1.06 | 2.46 | 10.29 | 1.54 | 6 | 5 | 0 | 0 | 1 | 91.67 |
| 32120 | 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 | 0.15 | 0.15 | 0.15 | 0.14 | 0.14 | 0.12 | 0.12 | 256 | 1236.57 | 90.1 | 42.09 | 1.03 | 1.03 | 2.05 | 1.67 | 1 | 1 | 0 | 2.5 | 1 | 55.56 |
| 32131 | 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 | 0.12 | 0.14 | 0.14 | 0.12 | 0.12 | 0.12 | 0.12 | 256 | 1113.68 | 89.44 | 78.39 | 1.02 | 1 | 1 | 1.46 | 1 | 1 | 0 | 1 | 1 | 58.33 |
| 7972 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.13 | 0.13 | 0.13 | 0.13 | 0.13 | 0.11 | 0.11 | 256 | 0.00 | 0 | 9.38 | 2.33 | 1 | 13.96 | 1.65 | NA | NA | NA | NA | NA | 0.00 |
| 32129 | 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 | 0.12 | 0.12 | 0.12 | 0.12 | 0.12 | 0.10 | 0.10 | 256 | 1147.84 | 100 | 62.73 | 1.15 | 1 | 1.06 | 1.57 | NA | NA | NA | NA | NA | 0.00 |
| 5405 | exec - domain_omp.cpp:54-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.12 | 0.10 | 0.10 | 0.12 | 0.12 | 0.08 | 0.08 | 256 | 0.00 | 66.67 | 68.75 | 2 | 1 | 1 | 1.96 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6370 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.12 | 0.09 | 0.09 | 0.12 | 0.12 | 0.08 | 0.08 | 256 | 148.44 | 0 | 8.04 | 1 | 1 | 14.48 | 2.13 | 2 | 0 | 0 | 2 | 4 | 37.50 |
| 22337 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.09 | 0.08 | 0.08 | 0.09 | 0.09 | 0.07 | 0.07 | 256 | 96.89 | 0 | 12.5 | 1 | 1.41 | 8 | 1.87 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7145 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.23 | 0.07 | 0.07 | 0.22 | 0.22 | 0.06 | 0.06 | 184 | 40.60 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.59 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 6877 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.09 | 0.07 | 0.07 | 0.09 | 0.09 | 0.06 | 0.06 | 256 | 282.88 | 0 | 8.75 | 1.67 | 1.96 | 12.8 | 2.07 | 1 | 0 | 0 | 2 | 2 | 40.00 |
| 7266 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.08 | 0.07 | 0.07 | 0.08 | 0.08 | 0.06 | 0.06 | 255 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 1.85 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 5403 | exec - domain_omp.cpp:69-150 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.09 | 0.06 | 0.06 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 0.19 | 13.64 | 11.93 | 1.35 | 1.61 | 10.29 | 2.34 | NA | NA | NA | NA | NA | 0.00 |
| 7234 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.07 | 0.06 | 0.06 | 0.07 | 0.07 | 0.05 | 0.05 | 256 | 0.00 | 0 | 12.5 | 2.07 | 1 | 8 | 2.03 | 1 | 1 | 12 | 2 | 4 | 60.00 |
| 6369 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.06 | 0.05 | 0.05 | 0.06 | 0.06 | 0.04 | 0.04 | 254 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.09 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 6288 | 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 | 0.05 | 0.04 | 0.04 | 0.05 | 0.05 | 0.04 | 0.04 | 256 | 234.81 | 7.14 | 15.18 | 1 | 1 | 4.28 | 1.71 | 3 | 2 | 0 | 0 | 0 | 100.00 |
| 32128 | 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 | 0.06 | 0.04 | 0.04 | 0.06 | 0.06 | 0.04 | 0.04 | 256 | 610.22 | 0 | 7.42 | 1 | 2.05 | 7.33 | 2.39 | 1 | 2 | 0 | 0 | 1 | 75.00 |
| 28941 | 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 | 0.05 | 0.04 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 254 | 0.96 | 100 | 100 | 1 | 1 | 1 | 2.07 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 28925 | 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 | 0.06 | 0.04 | 0.04 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 467.56 | 0 | 6.25 | 1 | 1 | 16 | 2.52 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6876 | exec - atom.cpp:2439-2440 | LAMMPS_NS::Atom::sort() | Innermost | 0.06 | 0.04 | 0.04 | 0.05 | 0.05 | 0.03 | 0.03 | 252 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.49 | 0 | 0 | 0 | 0 | 1 | 0.00 |
| 6368 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.05 | 0.04 | 0.08 | 0.05 | 0.10 | 0.03 | 0.07 | 253 | 0.00 | 0 | 7.5 | 1 | 1 | 15.41 | 2.3 | NA | NA | NA | NA | NA | 0.00 |
| 32103 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.06 | 0.03 | 0.03 | 0.06 | 0.06 | 0.03 | 0.03 | 252 | 0.00 | 100 | 55 | 1 | 1 | 1.5 | 2.61 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 6872 | exec - atom.cpp:2460-2466 | LAMMPS_NS::Atom::sort() | Innermost | 0.05 | 0.03 | 0.03 | 0.05 | 0.05 | 0.03 | 0.03 | 248 | 0.00 | 0 | 7.03 | 1 | 1 | 15.38 | 2.51 | 1 | 0 | 0 | 4 | 3 | 37.50 |
| 28936 | 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 | 0.05 | 0.05 | 0.02 | 0.02 | 245 | 0.00 | 0 | 6.25 | 1.78 | 1 | 16 | 2.83 | 1 | 5 | 0 | 0 | 1 | 85.71 |
| 9603 | exec - compute_temp.cpp:85-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.04 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 125.38 | 100 | 76.07 | 1.01 | 1 | 1.01 | 2.4 | 0 | 2 | 0 | 0 | 2 | 71.43 |
| 32113 | 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 | 0.66 | 0.05 | 0.45 | 0.02 | 0.55 | 256 | 838.37 | 53.76 | 24.13 | 1.06 | 1.08 | 1.71 | 3.49 | NA | NA | NA | NA | NA | 0.00 |
| 32127 | 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 | 0.33 | 0.05 | 0.22 | 0.02 | 0.28 | 256 | 1478.12 | 37.04 | 21.76 | 1.72 | 1.03 | 1.34 | 3.19 | NA | NA | NA | NA | NA | 0.00 |
| 32106 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.04 | 0.03 | 0.03 | 0.04 | 0.04 | 0.02 | 0.02 | 244 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.48 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 28933 | 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 | 0.04 | 0.02 | 0.02 | 0.04 | 0.04 | 0.02 | 0.02 | 256 | 1930.31 | 28.64 | 11.02 | 1.39 | 2.86 | 11.51 | 2.78 | 1 | 4.5 | 0 | 0 | 1.5 | 79.17 |
| 6875 | exec - atom.cpp:2437-2440 | LAMMPS_NS::Atom::sort() | Outermost | 0.05 | 0.02 | 0.06 | 0.04 | 0.08 | 0.02 | 0.05 | 238 | 0.00 | 0 | 7.5 | 1 | 1 | 15.41 | 3.02 | NA | NA | NA | NA | NA | 0.00 |
| 6871 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.03 | 0.01 | 0.05 | 0.03 | 0.06 | 0.01 | 0.04 | 212 | 0.00 | 6.82 | 9.52 | 1 | 1 | 13.47 | 2.85 | NA | NA | NA | NA | NA | 65.00 |
| 32121 | 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 | 1035.53 | 100 | 78.41 | 1.07 | 1 | 1.06 | 3.91 | 1 | 0 | 0 | 0 | 5 | 16.67 |
| 7235 | 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 | 62.84 | 0 | 12.5 | 2.07 | 1.61 | 8 | 5.52 | 1 | 1 | 12 | 2 | 4 | 60.00 |
| 28938 | 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 | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 161 | 0.00 | 0 | 6.25 | 1.44 | 1 | 16 | 2.81 | 1 | 5 | 0 | 0 | 0 | 100.00 |
| 28926 | 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 | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 242 | 498.12 | 100 | 50 | 1 | 1 | 2 | 5.35 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 3547 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.01 | 0.01 | 135 | 4.98 | 0 | 7.14 | 3.21 | 1 | 15.65 | 2.84 | NA | NA | NA | NA | NA | 0.00 |
| 6873 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 72 | 0.00 | 66.67 | 35.42 | 1 | 1 | 4 | 1.85 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 9929 | 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 | 885.10 | 6.45 | 10.99 | 1.56 | 1.82 | 12.64 | 7.64 | NA | NA | NA | NA | NA | 0.00 |
| 7968 | 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 | 46 | 0.00 | 0 | 6.82 | 1 | 1 | 16 | 2.51 | NA | NA | NA | NA | NA | 0.00 |
| 7971 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 42 | 0.00 | 0 | 12.5 | 1.16 | 1 | 8 | 1.71 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 3939 | 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 | 42 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.12 | 1.95 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7975 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.41 | 0.01 | 0.33 | 0.00 | 0.35 | 26 | 0.00 | 1.2 | 8.81 | 3.7 | 1 | 14.45 | 1.93 | NA | NA | NA | NA | NA | 0.00 |
| 632 | 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 | 15 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.87 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 22339 | exec - pair_eam.cpp:976-976 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0.00 | NA | NA | 1 | NA | NA | 1.83 | NA | NA | NA | NA | NA | 0.00 |
| 13791 | 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 | 66.67 | 67.71 | 1 | 1 | 1 | 1.78 | 0 | 1 | 0 | 0 | 0 | 100.00 |
