| Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime icx_0 (%) | Exclusive Coverage icx_0 (%) | Inclusive Coverage icx_0 (%) | Max Exclusive Time Over Threads icx_0 (s) | Max Inclusive Time Over Threads icx_0 (s) | Exclusive Time w.r.t. Wall Time icx_0 (s) | Inclusive Time w.r.t. Wall Time icx_0 (s) | Nb Threads icx_0 | GFLOPS icx_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing icx_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
|---|
| 31799 | 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 | 16.74 | 16.38 | 38.56 | 8.50 | 19.45 | 7.93 | 18.67 | 192 | 1360.67 | 84.39 | 63.51 | 1 | 1 | 1.01 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
| 31801 | 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 | 13.00 | 12.50 | 12.50 | 6.60 | 6.60 | 6.05 | 6.05 | 192 | 1317.17 | 100 | 71.2 | 1 | 1 | 1 | 1.09 | 0 | 5 | 0 | 0 | 4 | 55.56 |
| 31800 | 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 | 10.15 | 9.68 | 9.68 | 5.15 | 5.15 | 4.69 | 4.69 | 192 | 1409.72 | 100 | 81.25 | 1 | 1 | 1.08 | 1.1 | 0 | 1 | 0 | 0 | 6 | 14.29 |
| 31810 | 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 | 9.09 | 8.54 | 8.54 | 4.61 | 4.61 | 4.14 | 4.14 | 192 | 1164.68 | 100 | 78.57 | 1.01 | 1 | 1.08 | 1.12 | 0 | 1 | 0 | 0 | 3 | 25.00 |
| 31809 | 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 | 7.31 | 6.80 | 20.59 | 3.71 | 10.27 | 3.30 | 9.97 | 192 | 1112.50 | 74.68 | 59.26 | 1.07 | 1.02 | 1.08 | 1.13 | NA | NA | NA | NA | NA | 0.00 |
| 31811 | 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 | 5.87 | 5.25 | 5.25 | 2.98 | 2.98 | 2.54 | 2.54 | 192 | 1280.86 | 100 | 71.88 | 1 | 1 | 1 | 1.18 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 6458 | exec - fix_nve_intel.cpp:79-81 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 4.67 | 3.80 | 3.80 | 2.37 | 2.37 | 1.84 | 1.84 | 192 | 136.06 | 90.91 | 92.05 | 1 | 1 | 1 | 1.29 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 6289 | 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 | 3.86 | 2.99 | 2.99 | 1.96 | 1.96 | 1.45 | 1.45 | 192 | 46.05 | 97.3 | 85.47 | 1.01 | 1 | 1.08 | 1.36 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 31773 | 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 | 3.33 | 2.69 | 2.69 | 1.69 | 1.69 | 1.30 | 1.30 | 192 | 0.00 | 100 | 60.87 | 1.01 | 1 | 1.09 | 1.3 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 6461 | exec - fix_nve_intel.cpp:135-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 2.99 | 2.30 | 2.30 | 1.52 | 1.52 | 1.11 | 1.11 | 192 | 135.04 | 100 | 100 | 1 | 1 | 1 | 1.37 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 27996 | 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 | 2.46 | 2.05 | 6.70 | 1.25 | 3.45 | 0.99 | 3.24 | 192 | 1341.81 | 53.85 | 48.02 | 1.29 | 1 | 1.19 | 1.26 | NA | NA | NA | NA | NA | 0.00 |
| 28010 | 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 | 2.46 | 2.04 | 2.04 | 1.25 | 1.25 | 0.99 | 0.99 | 192 | 33.94 | 100 | 66.67 | 1 | 1 | 1 | 1.27 | 0 | 5 | 0 | 0 | 1 | 83.33 |
| 28005 | 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 | 2.15 | 1.75 | 1.75 | 1.09 | 1.09 | 0.85 | 0.85 | 192 | 2276.35 | 100 | 72.5 | 1.02 | 1 | 1.17 | 1.29 | 0 | 5 | 0 | 0 | 2 | 71.43 |
| 847 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.99 | 0.74 | 0.74 | 0.50 | 0.50 | 0.36 | 0.36 | 192 | 108.76 | 44.44 | 18.06 | 1 | 1.88 | 6.4 | 1.4 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 28012 | 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 | 0.97 | 0.65 | 0.70 | 0.49 | 0.55 | 0.31 | 0.34 | 192 | 601.10 | 33.33 | 38.8 | 1.85 | 1 | 1.18 | 1.57 | NA | NA | NA | NA | NA | 0.00 |
| 31802 | 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 | 1.01 | 0.62 | 0.62 | 0.51 | 0.51 | 0.30 | 0.30 | 192 | 375.36 | 100 | 73.57 | 1 | 1 | 1 | 1.7 | 0 | 0 | 0 | 0 | 4 | 0.00 |
| 7332 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.98 | 0.60 | 0.60 | 0.50 | 0.50 | 0.29 | 0.29 | 192 | 55.02 | 0 | 12.5 | 1.13 | 1.21 | 8 | 1.74 | 0 | 1 | 0 | 4 | 1 | 50.00 |
| 7216 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.79 | 0.47 | 0.47 | 0.40 | 0.40 | 0.23 | 0.23 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.75 | 0 | 2 | 0 | 2 | 1 | 60.00 |
| 6432 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.71 | 0.47 | 0.47 | 0.36 | 0.36 | 0.23 | 0.23 | 192 | 0.00 | 100 | 51.67 | 1.01 | 1 | 1.14 | 1.58 | 0 | 3 | 0 | 0 | 2 | 60.00 |
| 31777 | 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 | 0.63 | 0.47 | 1.11 | 0.32 | 0.56 | 0.23 | 0.54 | 192 | 1369.36 | 86.9 | 62.96 | 1 | 1 | 1.01 | 1.4 | NA | NA | NA | NA | NA | 0.00 |
| 856 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.61 | 0.42 | 0.42 | 0.31 | 0.31 | 0.20 | 0.20 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.53 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 8124 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.59 | 0.38 | 0.38 | 0.30 | 0.30 | 0.19 | 0.19 | 192 | 0.00 | 0 | 10.94 | 1.78 | 1 | 11.23 | 1.62 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
| 31779 | 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 | 0.57 | 0.37 | 0.37 | 0.29 | 0.29 | 0.18 | 0.18 | 192 | 1342.34 | 99.29 | 70.88 | 1 | 1 | 1 | 1.62 | 2 | 5 | 0 | 0 | 4 | 63.64 |
| 31778 | 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 | 0.41 | 0.26 | 0.26 | 0.21 | 0.21 | 0.13 | 0.13 | 192 | 1596.90 | 92.31 | 75.48 | 1.01 | 1 | 1.1 | 1.66 | 1 | 1 | 0 | 0 | 6 | 25.00 |
| 31789 | 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 | 0.39 | 0.23 | 0.23 | 0.20 | 0.20 | 0.11 | 0.11 | 192 | 1211.89 | 100 | 78.57 | 1.01 | 1 | 1.08 | 1.79 | 0 | 1 | 0 | 0 | 3 | 25.00 |
| 31788 | 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 | 0.30 | 0.19 | 0.58 | 0.15 | 0.31 | 0.09 | 0.28 | 192 | 1071.56 | 74.68 | 59.26 | 1.08 | 1.02 | 1.08 | 1.61 | NA | NA | NA | NA | NA | 0.00 |
| 8120 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | 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 | 2.01 | NA | NA | NA | NA | NA | 0.00 |
| 31790 | 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 | 0.28 | 0.16 | 0.16 | 0.14 | 0.14 | 0.08 | 0.08 | 192 | 1245.56 | 100 | 71.88 | 1 | 1 | 1 | 1.86 | 0 | 2 | 0 | 0 | 2 | 50.00 |
| 6932 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.28 | 0.12 | 0.12 | 0.14 | 0.14 | 0.06 | 0.06 | 192 | 296.78 | 0 | 8.93 | 2.1 | 1.95 | 12.63 | 2.38 | 1 | 0 | 0 | 2 | 1 | 50.00 |
| 6424 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.30 | 0.12 | 0.12 | 0.15 | 0.15 | 0.06 | 0.06 | 192 | 144.74 | 0 | 8.93 | 1 | 1 | 14.77 | 2.68 | 2 | 0 | 0 | 5 | 1 | 56.25 |
| 5467 | exec - domain_omp.cpp:71-153 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.26 | 0.11 | 0.11 | 0.13 | 0.13 | 0.05 | 0.05 | 192 | 0.05 | 13.64 | 11.93 | 1.33 | 1.17 | 8.71 | 2.37 | NA | NA | NA | NA | NA | 0.00 |
| 5469 | exec - domain_omp.cpp:56-57 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.22 | 0.10 | 0.10 | 0.11 | 0.11 | 0.05 | 0.05 | 192 | 0.00 | 66.67 | 68.75 | 1 | 1 | 1 | 2.21 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 21389 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.30 | 0.10 | 0.10 | 0.15 | 0.15 | 0.05 | 0.05 | 192 | 112.60 | 0 | 12.5 | 1 | 1.28 | 8 | 3.02 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7217 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.32 | 0.09 | 0.09 | 0.16 | 0.16 | 0.04 | 0.04 | 144 | 58.43 | 0 | 12.5 | 1.18 | 1.31 | 8 | 2.77 | 0 | 1 | 0 | 4 | 1 | 50.00 |
| 27997 | 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 | 0.07 | 0.07 | 0.09 | 0.09 | 0.04 | 0.04 | 192 | 2066.81 | 0 | 6.25 | 1 | 1 | 16 | 2.5 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 31765 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.20 | 0.07 | 0.07 | 0.10 | 0.10 | 0.03 | 0.03 | 187 | 0.00 | 100 | 50 | 1 | 1 | 1.56 | 2.91 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 7356 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.24 | 0.07 | 0.07 | 0.12 | 0.12 | 0.03 | 0.03 | 181 | 0.00 | 0 | 12.5 | 1.45 | 1 | 8 | 3.5 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 6423 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.20 | 0.06 | 0.06 | 0.10 | 0.10 | 0.03 | 0.03 | 182 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 3.19 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 7404 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.20 | 0.06 | 0.06 | 0.10 | 0.10 | 0.03 | 0.03 | 179 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 3.25 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 6366 | 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 | 0.14 | 0.06 | 0.06 | 0.07 | 0.07 | 0.03 | 0.03 | 192 | 302.93 | 7.14 | 15.18 | 1.04 | 1 | 5.52 | 2.47 | 3 | 0 | 0 | 0 | 0 | 100.00 |
| 6931 | exec - atom.cpp:2439-2440 | LAMMPS_NS::Atom::sort() | Innermost | 0.16 | 0.06 | 0.06 | 0.08 | 0.08 | 0.03 | 0.03 | 182 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 2.84 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 9914 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.12 | 0.05 | 0.05 | 0.06 | 0.06 | 0.03 | 0.03 | 192 | 135.07 | 100 | 75.76 | 1.02 | 1 | 1.05 | 2.34 | 0 | 3 | 0 | 0 | 4 | 42.86 |
| 6927 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.16 | 0.05 | 0.05 | 0.08 | 0.08 | 0.02 | 0.02 | 170 | 0.00 | 0 | 7.03 | 1 | 1 | 15.38 | 3.07 | 1 | 0 | 0 | 4 | 3 | 37.50 |
| 6422 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.12 | 0.05 | 0.11 | 0.06 | 0.12 | 0.02 | 0.05 | 176 | 0.00 | 0 | 7.5 | 1 | 1 | 15.24 | 2.43 | NA | NA | NA | NA | NA | 0.00 |
| 28007 | 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 | 0.16 | 0.04 | 0.04 | 0.08 | 0.08 | 0.02 | 0.02 | 160 | 0.00 | 0 | 6.25 | 1.67 | 1 | 16 | 3.62 | 1 | 5 | 0 | 0 | 1 | 85.71 |
| 28013 | 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 | 0.03 | 0.03 | 0.06 | 0.06 | 0.02 | 0.02 | 192 | 620.62 | 100 | 100 | 1 | 1 | 1 | 3.57 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 6930 | exec - atom.cpp:2437-2440 | LAMMPS_NS::Atom::sort() | Outermost | 0.10 | 0.03 | 0.09 | 0.05 | 0.10 | 0.02 | 0.04 | 154 | 0.00 | 0 | 6.82 | 1 | 1 | 15.48 | 2.44 | NA | NA | NA | NA | NA | 0.00 |
| 31780 | 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 | 639.21 | 100 | 72.26 | 1 | 1 | 1 | 3.12 | 0 | 0 | 0 | 0 | 5 | 0.00 |
| 28009 | 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 | 0.10 | 0.02 | 0.02 | 0.05 | 0.05 | 0.01 | 0.01 | 127 | 0.00 | 0 | 6.25 | 1.5 | 1 | 16 | 3.07 | 1 | 5 | 0 | 0 | 0 | 100.00 |
| 6926 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.08 | 0.02 | 0.07 | 0.04 | 0.09 | 0.01 | 0.03 | 122 | 0.00 | 12.5 | 10.94 | 1 | 1 | 13.73 | 2.4 | NA | NA | NA | NA | NA | 65.00 |
| 28014 | 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 | 0.10 | 0.02 | 0.02 | 0.05 | 0.05 | 0.01 | 0.01 | 192 | 539.64 | 100 | 100 | 1 | 1 | 1 | 5.3 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 27998 | 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 | 2198.85 | 100 | 50 | 1 | 1 | 2 | 5.12 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7357 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.12 | 0.01 | 0.01 | 0.06 | 0.06 | 0.01 | 0.01 | 119 | 69.54 | 0 | 12.5 | 1.45 | 1.5 | 8 | 5.33 | 0 | 1 | 0 | 2 | 4 | 28.57 |
| 31768 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.06 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 92 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.38 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 3570 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 52 | 3.30 | 0 | 6.95 | 4.42 | 1 | 37.84 | 1.79 | NA | NA | NA | NA | NA | 0.00 |
| 6928 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 47 | 0.00 | 66.67 | 35.42 | 1 | 1 | 4 | 1.81 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 10248 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 179 | 343.75 | 6.45 | 10.99 | 2.49 | 1.79 | 11.81 | 6.89 | 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 | 0.04 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 46 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.11 | 1.84 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 28011 | 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 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 126 | 193.62 | 100 | 100 | 1 | 1 | 1 | 6.3 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 3212 | exec - variable.cpp:917-919 | LAMMPS_NS::Variable::set_arrays(int) | 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 |
| 3566 | exec - velocity.cpp:726-730 | LAMMPS_NS::Velocity::rescale(double, double) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 47 | 60.83 | 40 | 16.56 | 1.41 | 1.22 | 6.86 | 2.14 | NA | NA | NA | NA | NA | 0.00 |
| 3561 | exec - velocity.cpp:757-761 | LAMMPS_NS::Velocity::zero_momentum() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 51 | 93.21 | 0 | 12.03 | 1.19 | 1.11 | 8.8 | 2.55 | NA | NA | NA | NA | NA | 0.00 |
| 14342 | exec - group.cpp:1183-1188 | LAMMPS_NS::Group::vcm(int, double, double*) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 94 | 212.49 | 100 | 74.19 | 1.02 | 1 | 1.05 | 5.22 | 0 | 3 | 0 | 0 | 4 | 42.86 |
| 8119 | 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 | 17 | 0.00 | 0 | 12.5 | 1.51 | 1 | 8 | 1 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 984 | exec - neighbor.cpp:3045-3046 | LAMMPS_NS::Neighbor::get_nneigh_half() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 14 | 0.00 | 100 | 66.67 | 1 | 1 | 1.01 | 1 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 8116 | exec - comm_brick.cpp:545-589 [...] | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 12 | 0.00 | 0 | 6.82 | 1 | 1 | 15.68 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8123 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.02 | 0.00 | 0.39 | 0.01 | 0.27 | 0.00 | 0.19 | 11 | 0.00 | 1.2 | 8.43 | 4 | 1 | 14.46 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8117 | 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 | 10 | 5.30 | 0 | 8.4 | 1 | 1 | 14.74 | 1.11 | NA | NA | NA | NA | NA | 0.00 |
| 857 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::build(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 8 | 0.00 | 66.67 | 70.83 | 1.11 | 1 | 1.24 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 633 | exec - modify.cpp:481-481 | LAMMPS_NS::Modify::final_integrate() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 11 | 27.31 | NA | NA | 1 | NA | NA | 1.57 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 624 | exec - modify.cpp:401-402 | LAMMPS_NS::Modify::initial_integrate(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 13 | 47.82 | 0 | 6.25 | 1 | 1 | 16 | 1.86 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 631 | exec - modify.cpp:471-471 | LAMMPS_NS::Modify::post_force(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 9.55 | 0 | 6.25 | 1 | 1 | 16 | 1.2 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 10247 | exec - create_atoms.cpp:1469-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.02 | 0.00 | 0.01 | 0.01 | 0.01 | 0.00 | 0.00 | 25 | 310.66 | 14.29 | 10.71 | 2.14 | 1 | 11.79 | 6.25 | NA | NA | NA | NA | NA | 0.00 |
| 14324 | exec - group.cpp:875-876 | LAMMPS_NS::Group::mass(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 223.07 | 100 | 73.08 | 1.01 | 1 | 1.13 | 5.67 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 630 | exec - modify.cpp:455-455 | LAMMPS_NS::Modify::pre_reverse(int, int) | 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 |
| 851 | exec - neighbor.cpp:2522-2527 | LAMMPS_NS::Neighbor::build(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 26.73 | 12.25 | 1 | 1 | 15.13 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
| 3481 | exec - velocity.cpp:332-349 | LAMMPS_NS::Velocity::create(double, int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 12.13 | 1 | 1.91 | 8 | 1 | 2.33 | 3 | 0 | 0.67 | 0.67 | 88.89 |
| 8133 | exec - comm_brick.cpp:1003-1023 [...] | LAMMPS_NS::CommBrick::forward_comm(LAMMPS_NS::Pair*, int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 8.04 | 1 | 1 | 15.04 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8134 | exec - comm_brick.cpp:1045-1065 [...] | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 8.85 | 1 | 1 | 14.55 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 14606 | exec - integrate.cpp:110-111 [...] | LAMMPS_NS::Integrate::ev_set(long) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 9.38 | 1 | 1 | 14.22 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6961 | exec - atom.cpp:945-945 | LAMMPS_NS::Atom::tag_extend() | 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 |
| 14320 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 66.67 | 67.71 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 768 | exec - basic_string.h:195-6343 [...] | std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, LAMMPS_NS::Compute* (*)(LAMMPS_NS::LAMMPS*, int, char**), std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::all... | 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 |
| 207 | exec - basic_string.h:195-6343 [...] | 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 | 0.02 | 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 |
| 817 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 66.67 | 70.83 | 1.11 | 1 | 1.24 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 6955 | exec - atom.cpp:912-914 | LAMMPS_NS::Atom::tag_check() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 7630 | exec - atom_vec.cpp:2591-2599 | LAMMPS_NS::AtomVec::setup_fields() | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 9.04 | 1 | 1 | 13.33 | 1 | 0 | 4.75 | 1.5 | 0 | 1 | 80.94 |
| 2921 | exec - thermo.cpp:423-436 | LAMMPS_NS::Thermo::compute(int) | 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 |
| 21455 | exec - pair_eam.cpp:850-850 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1.63 | 1 | 8 | 1 | 0 | 2 | 0 | 8 | 0 | 60.00 |
| 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 | 0.02 | 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 |
| 16987 | exec - procmap.cpp:371-373 | LAMMPS_NS::ProcMap::cart_map(int, int*, int*, int (*) [2], int***) | Innermost | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 8.33 | 1 | 1 | 16 | 1 | 1 | 0 | 0 | 3 | 0 | 62.50 |
