| 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 |
|---|
| 56807 | 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 | 17.11 | 16.46 | 38.49 | 8.69 | 19.25 | 7.95 | 18.60 | 192 | 1355.12 | 84.39 | 63.51 | 1 | 1 | 1.01 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
| 56809 | 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 | 13.01 | 12.39 | 12.39 | 6.61 | 6.61 | 5.99 | 5.99 | 192 | 1333.34 | 100 | 71.2 | 1 | 1 | 1 | 1.11 | 0 | 5 | 0 | 0 | 4 | 55.56 |
| 56808 | 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 | 10.25 | 9.64 | 9.64 | 5.21 | 5.21 | 4.66 | 4.66 | 192 | 1419.90 | 100 | 81.25 | 1 | 1 | 1.08 | 1.12 | 0 | 1 | 0 | 0 | 6 | 14.29 |
| 56818 | 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 | 8.85 | 8.50 | 8.50 | 4.50 | 4.50 | 4.11 | 4.11 | 192 | 1167.73 | 100 | 78.57 | 1.01 | 1 | 1.08 | 1.1 | 0 | 1 | 0 | 0 | 3 | 25.00 |
| 56817 | 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 | 7.48 | 6.80 | 20.55 | 3.80 | 10.20 | 3.29 | 9.93 | 192 | 1123.71 | 74.68 | 59.26 | 1.07 | 1.02 | 1.08 | 1.16 | NA | NA | NA | NA | NA | 0.00 |
| 56819 | 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 | 5.77 | 5.24 | 5.24 | 2.93 | 2.93 | 2.53 | 2.53 | 192 | 1280.32 | 100 | 71.88 | 1 | 1 | 1 | 1.16 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 11978 | exec - fix_nve_intel.cpp:79-81 | _ZN9LAMMPS_NS11FixNVEIntel17initial_integrateEi.A | Single | 4.98 | 3.84 | 3.84 | 2.53 | 2.53 | 1.86 | 1.86 | 192 | 134.64 | 90.91 | 92.05 | 1 | 1 | 1 | 1.37 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 11610 | 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 | 3.80 | 3.03 | 3.03 | 1.93 | 1.93 | 1.46 | 1.46 | 192 | 45.86 | 97.3 | 85.47 | 1.01 | 1 | 1.08 | 1.32 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 56781 | 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 | 3.66 | 2.71 | 2.71 | 1.86 | 1.86 | 1.31 | 1.31 | 192 | 0.00 | 100 | 60.87 | 1.01 | 1 | 1.09 | 1.42 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 11984 | exec - fix_nve_intel.cpp:135-135 | _ZN9LAMMPS_NS11FixNVEIntel15final_integrateEv.A | Single | 3.27 | 2.28 | 2.28 | 1.66 | 1.66 | 1.10 | 1.10 | 192 | 135.86 | 100 | 100 | 1 | 1 | 1 | 1.51 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 52029 | 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 | 2.48 | 2.04 | 2.04 | 1.26 | 1.26 | 0.99 | 0.99 | 192 | 34.83 | 100 | 66.67 | 1 | 1 | 1 | 1.28 | 0 | 5 | 0 | 0 | 1 | 83.33 |
| 52015 | 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 | 2.26 | 1.97 | 6.63 | 1.15 | 3.33 | 0.95 | 3.20 | 192 | 1404.90 | 53.85 | 48.02 | 1.29 | 1 | 1.19 | 1.21 | NA | NA | NA | NA | NA | 0.00 |
| 52024 | 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 | 2.18 | 1.76 | 1.76 | 1.11 | 1.11 | 0.85 | 0.85 | 192 | 2264.44 | 100 | 72.5 | 1.02 | 1 | 1.17 | 1.31 | 0 | 5 | 0 | 0 | 2 | 71.43 |
| 1630 | exec - neighbor.cpp:2430-2435 | _ZN9LAMMPS_NS8Neighbor14check_distanceEv.A | Single | 1.10 | 0.72 | 0.72 | 0.56 | 0.56 | 0.35 | 0.35 | 192 | 111.98 | 44.44 | 18.06 | 1 | 1.88 | 6.4 | 1.61 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 52031 | 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 | 1.06 | 0.64 | 0.70 | 0.54 | 0.57 | 0.31 | 0.34 | 192 | 622.77 | 33.33 | 38.8 | 1.85 | 1 | 1.18 | 1.74 | NA | NA | NA | NA | NA | 0.00 |
| 56810 | 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 | 1.04 | 0.60 | 0.60 | 0.53 | 0.53 | 0.29 | 0.29 | 192 | 389.21 | 100 | 73.57 | 1 | 1 | 1 | 1.82 | 0 | 0 | 0 | 0 | 4 | 0.00 |
| 13369 | exec - atom_vec.cpp:735-739 | _ZN9LAMMPS_NS7AtomVec14unpack_reverseEiPiPd.A | Single | 1.06 | 0.59 | 0.59 | 0.54 | 0.54 | 0.28 | 0.28 | 192 | 56.10 | 0 | 12.5 | 1.13 | 1.21 | 8 | 1.9 | 0 | 1 | 0 | 4 | 1 | 50.00 |
| 56785 | 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 | 0.67 | 0.48 | 1.10 | 0.34 | 0.56 | 0.23 | 0.53 | 192 | 1356.58 | 86.9 | 62.96 | 1 | 1 | 1.01 | 1.48 | NA | NA | NA | NA | NA | 0.00 |
| 11926 | exec - intel_buffers.h:210-214 | _ZN9LAMMPS_NS9NBinIntel9bin_atomsIfdEEvPNS_12IntelBuffersIT_T0_EE.A | Single | 0.77 | 0.47 | 0.47 | 0.39 | 0.39 | 0.23 | 0.23 | 192 | 0.00 | 100 | 51.67 | 1.01 | 1 | 1.14 | 1.74 | 0 | 3 | 0 | 0 | 2 | 60.00 |
| 13179 | exec - atom_vec.cpp:362-366 | _ZN9LAMMPS_NS7AtomVec9pack_commEiPiPdiS1_.A | Single | 0.93 | 0.46 | 0.46 | 0.47 | 0.47 | 0.22 | 0.22 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 2.14 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 1649 | exec - neighbor.cpp:2480-2483 | _ZN9LAMMPS_NS8Neighbor5buildEi.A | Single | 0.65 | 0.42 | 0.42 | 0.33 | 0.33 | 0.20 | 0.20 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.64 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 14903 | exec - comm_brick.cpp:841-844 | _ZN9LAMMPS_NS9CommBrick7bordersEv.A | Innermost | 0.59 | 0.39 | 0.39 | 0.30 | 0.30 | 0.19 | 0.19 | 192 | 0.00 | 0 | 10.94 | 1.78 | 1 | 11.23 | 1.61 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 56787 | 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 | 0.47 | 0.36 | 0.36 | 0.24 | 0.24 | 0.17 | 0.17 | 192 | 1400.58 | 99.29 | 70.88 | 1 | 1 | 1 | 1.4 | 2 | 5 | 0 | 0 | 4 | 63.64 |
| 56786 | 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 | 0.43 | 0.27 | 0.27 | 0.22 | 0.22 | 0.13 | 0.13 | 192 | 1548.53 | 92.31 | 75.48 | 1.01 | 1 | 1.1 | 1.68 | 1 | 1 | 0 | 0 | 6 | 25.00 |
| 56797 | 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 | 0.35 | 0.25 | 0.25 | 0.18 | 0.18 | 0.12 | 0.12 | 192 | 1136.66 | 100 | 78.57 | 1.01 | 1 | 1.08 | 1.52 | 0 | 1 | 0 | 0 | 3 | 25.00 |
| 56796 | 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 | 0.28 | 0.19 | 0.58 | 0.14 | 0.30 | 0.09 | 0.28 | 192 | 1100.54 | 74.68 | 59.26 | 1.08 | 1.02 | 1.08 | 1.55 | NA | NA | NA | NA | NA | 0.00 |
| 14887 | exec - comm_brick.cpp:709-715 | _ZN9LAMMPS_NS9CommBrick8exchangeEv.A | Innermost | 0.33 | 0.17 | 0.17 | 0.17 | 0.17 | 0.08 | 0.08 | 192 | 0.00 | 0 | 9.17 | 3.13 | 1 | 14.44 | 2.04 | NA | NA | NA | NA | NA | 0.00 |
| 56798 | 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 | 0.26 | 0.14 | 0.14 | 0.13 | 0.13 | 0.07 | 0.07 | 192 | 1368.59 | 100 | 71.88 | 1 | 1 | 1 | 1.88 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 12617 | exec - atom.cpp:2414-2426 | _ZN9LAMMPS_NS4Atom4sortEv.A | Single | 0.26 | 0.13 | 0.13 | 0.13 | 0.13 | 0.06 | 0.06 | 192 | 275.33 | 0 | 8.93 | 2.1 | 1.95 | 12.63 | 2.08 | 1 | 0 | 0 | 2 | 1 | 50.00 |
| 10679 | exec - domain_omp.cpp:71-153 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.28 | 0.12 | 0.12 | 0.14 | 0.14 | 0.06 | 0.06 | 190 | 0.04 | 13.64 | 11.93 | 1.33 | 1.17 | 8.71 | 2.47 | NA | NA | NA | NA | NA | 0.00 |
| 11918 | exec - nbin_intel.cpp:220-225 | _ZN9LAMMPS_NS9NBinIntel9bin_atomsIfdEEvPNS_12IntelBuffersIT_T0_EE.A | Single | 0.22 | 0.12 | 0.12 | 0.11 | 0.11 | 0.06 | 0.06 | 192 | 141.62 | 0 | 8.33 | 1 | 1 | 14.77 | 1.98 | 2 | 0 | 0 | 5 | 1 | 56.25 |
| 10681 | exec - domain_omp.cpp:56-57 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.24 | 0.11 | 0.11 | 0.12 | 0.12 | 0.05 | 0.05 | 190 | 0.00 | 66.67 | 68.75 | 1 | 1 | 1 | 2.29 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 40902 | exec - pair_eam.cpp:976-978 | _ZN9LAMMPS_NS7PairEAM19unpack_reverse_commEiPiPd.A | Single | 0.20 | 0.10 | 0.10 | 0.10 | 0.10 | 0.05 | 0.05 | 192 | 115.27 | 0 | 12.5 | 1 | 1.28 | 8 | 2.16 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 13180 | exec - atom_vec.cpp:378-382 | _ZN9LAMMPS_NS7AtomVec9pack_commEiPiPdiS1_.A | Single | 0.33 | 0.08 | 0.08 | 0.17 | 0.17 | 0.04 | 0.04 | 144 | 65.28 | 0 | 12.5 | 1.18 | 1.31 | 8 | 3.22 | 0 | 1 | 0 | 4 | 1 | 50.00 |
| 52016 | 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 | 0.18 | 0.08 | 0.08 | 0.09 | 0.09 | 0.04 | 0.04 | 192 | 2004.84 | 0 | 6.25 | 1 | 1 | 16 | 2.49 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 57053 | exec - pair_eam_intel.cpp:830-832 | _ZN9LAMMPS_NS12PairEAMIntel17pack_forward_commEiPiPdiS1_.A | Single | 0.24 | 0.07 | 0.07 | 0.12 | 0.12 | 0.04 | 0.04 | 182 | 0.00 | 100 | 50 | 1 | 1 | 1.56 | 3.2 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 13409 | exec - atom_vec.cpp:804-811 [...] | _ZN9LAMMPS_NS7AtomVec11pack_borderEiPiPdiS1_.A | Single | 0.22 | 0.07 | 0.07 | 0.11 | 0.11 | 0.03 | 0.03 | 186 | 0.00 | 0 | 12.5 | 1.45 | 1 | 8 | 3.07 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 11917 | exec - nbin_intel.cpp:232-233 | _ZN9LAMMPS_NS9NBinIntel9bin_atomsIfdEEvPNS_12IntelBuffersIT_T0_EE.A | Innermost | 0.20 | 0.07 | 0.07 | 0.10 | 0.10 | 0.03 | 0.03 | 186 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 2.96 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 13489 | exec - atom_vec.cpp:1035-1041 [...] | _ZN9LAMMPS_NS7AtomVec13unpack_borderEiiPd.A | Single | 0.16 | 0.06 | 0.06 | 0.08 | 0.08 | 0.03 | 0.03 | 185 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.66 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 11778 | exec - intel_buffers.cpp:624-624 | _ZN9LAMMPS_NS12IntelBuffersIfdE15fdotr_reduce_l5EiiiiRdS2_S2_S2_S2_S2_.A | Single | 0.16 | 0.06 | 0.06 | 0.08 | 0.08 | 0.03 | 0.03 | 192 | 307.81 | 7.14 | 15.18 | 1.04 | 1 | 5.52 | 2.9 | 3 | 0 | 0 | 0 | 0 | 100.00 |
| 12616 | exec - atom.cpp:2439-2440 | _ZN9LAMMPS_NS4Atom4sortEv.A | Innermost | 0.20 | 0.06 | 0.06 | 0.10 | 0.10 | 0.03 | 0.03 | 179 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 3.5 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 18307 | exec - compute_temp.cpp:90-92 | _ZN9LAMMPS_NS11ComputeTemp14compute_scalarEv.A | Single | 0.14 | 0.05 | 0.05 | 0.07 | 0.07 | 0.03 | 0.03 | 192 | 135.19 | 100 | 75.76 | 1.02 | 1 | 1.05 | 2.75 | 0 | 3 | 0 | 0 | 4 | 42.86 |
| 11916 | exec - nbin_intel.cpp:229-233 | _ZN9LAMMPS_NS9NBinIntel9bin_atomsIfdEEvPNS_12IntelBuffersIT_T0_EE.A | Outermost | 0.14 | 0.05 | 0.12 | 0.07 | 0.13 | 0.02 | 0.06 | 173 | 0.00 | 0 | 7.5 | 1 | 1 | 15.24 | 2.62 | NA | NA | NA | NA | NA | 0.00 |
| 12612 | exec - atom.cpp:2462-2464 | _ZN9LAMMPS_NS4Atom4sortEv.A | Innermost | 0.18 | 0.04 | 0.04 | 0.09 | 0.09 | 0.02 | 0.02 | 161 | 0.00 | 0 | 7.03 | 1 | 1 | 15.38 | 3.8 | 1 | 0 | 0 | 4 | 3 | 37.50 |
| 52026 | exec - npair_intel.cpp:392-400 | 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 | 0.14 | 0.04 | 0.04 | 0.07 | 0.07 | 0.02 | 0.02 | 165 | 0.00 | 0 | 6.25 | 1.67 | 1 | 16 | 3.04 | 1 | 5 | 0 | 0 | 1 | 85.71 |
| 52032 | 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 | 0.14 | 0.04 | 0.04 | 0.07 | 0.07 | 0.02 | 0.02 | 192 | 555.73 | 100 | 100 | 1 | 1 | 1 | 4.05 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 12615 | exec - atom.cpp:2437-2440 | _ZN9LAMMPS_NS4Atom4sortEv.A | Outermost | 0.10 | 0.03 | 0.09 | 0.05 | 0.11 | 0.01 | 0.04 | 152 | 0.00 | 0 | 6.82 | 1 | 1 | 15.48 | 2.7 | NA | NA | NA | NA | NA | 0.00 |
| 56788 | 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 | 0.08 | 0.03 | 0.03 | 0.04 | 0.04 | 0.01 | 0.01 | 192 | 662.70 | 100 | 72.26 | 1 | 1 | 1 | 3.31 | 0 | 0 | 0 | 0 | 5 | 0.00 |
| 52033 | 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 | 0.12 | 0.02 | 0.02 | 0.06 | 0.06 | 0.01 | 0.01 | 192 | 553.54 | 100 | 100 | 1 | 1 | 1 | 4.99 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 52028 | 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 | 0.08 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 126 | 0.00 | 0 | 6.25 | 1.5 | 1 | 16 | 2.6 | 1 | 5 | 0 | 0 | 0 | 100.00 |
| 12611 | exec - atom.cpp:2458-2467 | _ZN9LAMMPS_NS4Atom4sortEv.A | Outermost | 0.10 | 0.02 | 0.06 | 0.05 | 0.08 | 0.01 | 0.03 | 113 | 0.00 | 12.5 | 10.94 | 1 | 1 | 13.73 | 3.17 | NA | NA | NA | NA | NA | 65.00 |
| 52017 | 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 | 0.08 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 192 | 1841.09 | 100 | 50 | 1 | 1 | 2 | 4.52 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 57060 | exec - pair_eam_intel.cpp:847-847 | _ZN9LAMMPS_NS12PairEAMIntel19unpack_forward_commEiiPd.A | Single | 0.08 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 98 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.8 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 13410 | exec - atom_vec.cpp:823-830 [...] | _ZN9LAMMPS_NS7AtomVec11pack_borderEiPiPdiS1_.A | Single | 0.10 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 119 | 76.01 | 0 | 12.5 | 1.45 | 1.5 | 8 | 4.44 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 6985 | exec - timer.h:54-102 [...] | _ZN9LAMMPS_NS6Verlet3runEi.A | Single | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 62 | 7.84 | 0 | 6.95 | 4.42 | 1 | 37.84 | 2.03 | NA | NA | NA | NA | NA | 0.00 |
| 7792 | exec - memory.h:190-191 | _ZN9LAMMPS_NS6Memory4growIdEEPPT_RS4_iiPKc.A | Single | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 53 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.11 | 1.96 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 52030 | 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 | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 112 | 140.58 | 100 | 100 | 1 | 1 | 1 | 4.57 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 18958 | exec - create_atoms.cpp:1470-1616 [...] | _ZN9LAMMPS_NS11CreateAtoms12loop_latticeEi.A | InBetween | 0.04 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 179 | 407.59 | 6.45 | 10.99 | 2.49 | 1.79 | 11.81 | 8.14 | NA | NA | NA | NA | NA | 0.00 |
| 6293 | exec - variable.cpp:917-919 | _ZN9LAMMPS_NS8Variable10set_arraysEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 39 | 0.00 | 92.31 | 74.04 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 12613 | exec - atom.cpp:2449-2449 | _ZN9LAMMPS_NS4Atom4sortEv.A | Single | 0.04 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 28 | 0.00 | 66.67 | 35.42 | 1 | 1 | 4 | 1.93 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 26949 | exec - group.cpp:1183-1188 | _ZN9LAMMPS_NS5Group3vcmEidPd.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 138 | 274.53 | 100 | 74.19 | 1.02 | 1 | 1.05 | 6 | 0 | 3 | 0 | 0 | 4 | 42.86 |
| 6968 | exec - velocity.cpp:757-761 | _ZN9LAMMPS_NS8Velocity13zero_momentumEv.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 48 | 95.62 | 0 | 12.03 | 1.19 | 1.11 | 8.8 | 2.67 | NA | NA | NA | NA | NA | 0.00 |
| 1650 | exec - memory.h:155-156 | _ZN9LAMMPS_NS8Neighbor5buildEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 0.00 | 66.67 | 70.83 | 1.11 | 1 | 1.24 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 14879 | exec - comm_brick.cpp:545-589 [...] | _ZN9LAMMPS_NS9CommBrick12forward_commEi.A | Single | 0.04 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 13 | 0.00 | 0 | 6.82 | 1 | 1 | 15.68 | 1.73 | NA | NA | NA | NA | NA | 0.00 |
| 6978 | exec - velocity.cpp:726-730 | _ZN9LAMMPS_NS8Velocity7rescaleEdd.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 29 | 58.88 | 40 | 16.56 | 1.41 | 1.22 | 6.86 | 2.23 | NA | NA | NA | NA | NA | 0.00 |
| 1893 | exec - neighbor.cpp:3045-3046 | _ZN9LAMMPS_NS8Neighbor15get_nneigh_halfEv.A | Single | 0.04 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 11 | 0.00 | 100 | 66.67 | 1 | 1 | 1.01 | 1.83 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 14886 | exec - comm_brick.cpp:755-758 | _ZN9LAMMPS_NS9CommBrick8exchangeEv.A | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 0.00 | 0 | 12.5 | 1.51 | 1 | 8 | 1 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 26903 | exec - group.cpp:822-823 | _ZN9LAMMPS_NS5Group5countEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0.00 | 66.67 | 67.71 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 14881 | exec - comm_brick.cpp:612-637 | _ZN9LAMMPS_NS9CommBrick12reverse_commEv.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 9 | 13.66 | 0 | 8.4 | 1 | 1 | 14.74 | 1.29 | NA | NA | NA | NA | NA | 0.00 |
| 1220 | exec - modify.cpp:481-481 | _ZN9LAMMPS_NS6Modify15final_integrateEv.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 34.17 | NA | NA | 1 | NA | NA | 1.71 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 14902 | exec - comm_brick.cpp:798-961 [...] | _ZN9LAMMPS_NS9CommBrick7bordersEv.A | InBetween | 0.02 | 0.00 | 0.39 | 0.01 | 0.23 | 0.00 | 0.19 | 6 | 0.00 | 1.45 | 8.51 | 4.05 | 1 | 14.44 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 6836 | exec - velocity.cpp:332-349 | _ZN9LAMMPS_NS8Velocity6createEdi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 0 | 12.13 | 1 | 1.91 | 8 | 1 | 2.33 | 3 | 0 | 0.67 | 0.67 | 88.89 |
| 1202 | exec - modify.cpp:401-402 | _ZN9LAMMPS_NS6Modify17initial_integrateEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 55.81 | 0 | 6.25 | 1 | 1 | 16 | 2 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 1217 | exec - modify.cpp:471-471 | _ZN9LAMMPS_NS6Modify10post_forceEi.A | Single | 0.02 | 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 |
| 26913 | exec - group.cpp:875-876 | _ZN9LAMMPS_NS5Group4massEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 18 | 167.45 | 100 | 73.08 | 1.01 | 1 | 1.13 | 4.5 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 14915 | exec - comm_brick.cpp:1045-1065 [...] | _ZN9LAMMPS_NS9CommBrick12reverse_commEPNS_4PairEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 8.85 | 1 | 1 | 14.55 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1214 | exec - modify.cpp:455-455 | _ZN9LAMMPS_NS6Modify11pre_reverseEii.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 1064 | exec - modify.cpp:285-286 | _ZN9LAMMPS_NS6Modify4initEv.A | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 1644 | exec - neighbor.cpp:2522-2527 | _ZN9LAMMPS_NS8Neighbor5buildEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 26.73 | 12.25 | 1 | 1 | 15.13 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
| 12673 | exec - atom.cpp:945-945 | _ZN9LAMMPS_NS4Atom10tag_extendEv.A | Single | 0.02 | 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 |
| 14885 | exec - comm_brick.cpp:698-758 [...] | _ZN9LAMMPS_NS9CommBrick8exchangeEv.A | Outermost | 0.02 | 0.00 | 0.17 | 0.01 | 0.10 | 0.00 | 0.08 | 1 | 0.00 | 0 | 8.43 | 6.89 | 1 | 14.41 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 390 | exec - new_allocator.h:145-145 [...] | _ZNSt8_Rb_treeINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEESt4pairIKS5_S5_ESt10_Select1stIS8_ESt4lessIS5_ESaIS8_EE8_M_eraseEPSt13_Rb_tree_nodeIS8_E.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 14913 | exec - comm_brick.cpp:1003-1023 [...] | _ZN9LAMMPS_NS9CommBrick12forward_commEPNS_4PairEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 8.04 | 1 | 1 | 15.04 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 392 | exec - basic_string.h:195-6343 [...] | _ZNSt3mapINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEES5_St4lessIS5_ESaISt4pairIKS5_S5_EEEixEOS5_.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.46 | 1 | 1 | 13.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 5713 | exec - thermo.cpp:423-436 | _ZN9LAMMPS_NS6Thermo7computeEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 5.8 | 1 | 1 | 43.03 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 1645 | exec - neighbor.cpp:2513-2515 | _ZN9LAMMPS_NS8Neighbor5buildEi.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 50 | 15.63 | 1 | 1 | 15.26 | 1 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 13370 | exec - atom_vec.cpp:735-739 | _ZN9LAMMPS_NS7AtomVec14unpack_reverseEiPiPd.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 25877 | exec - basic_string.h:195-6343 [...] | _ZNSt3mapINSt7__cxx1112basic_stringIcSt11char_traitsIcESaIcEEEPFPN9LAMMPS_NS4PairEPNS6_6LAMMPSEESt4lessIS5_ESaISt4pairIKS5_SC_EEEixEOS5_.A | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.46 | 1 | 1 | 13.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
