| 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 |
|---|
| 30479 | exec - pair_eam_intel.cpp:513-527 | 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 .omp_outlined] | Innermost | 26.82 | 26.14 | 26.14 | 22.34 | 22.34 | 21.36 | 21.36 | 192 | 464.87 | 32.5 | 12.03 | 1.36 | 1.74 | 11.83 | 1.05 | 2 | 1 | 0 | 1 | 2.5 | 63.19 |
| 30493 | exec - pair_eam_intel.cpp:312-323 | 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 .omp_outlined] | Innermost | 24.73 | 24.11 | 24.11 | 20.60 | 20.60 | 19.69 | 19.69 | 192 | 441.72 | 29.17 | 11.37 | 1.25 | 1.98 | 11.03 | 1.05 | 2 | 1 | 0 | 1 | 1 | 72.92 |
| 30478 | exec - pair_eam_intel.cpp:541-588 [...] | 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 .omp_outlined] | Innermost | 16.72 | 15.91 | 15.91 | 13.92 | 13.92 | 13.00 | 13.00 | 192 | 952.14 | 13.64 | 9.09 | 1 | 1.97 | 13.91 | 1.08 | 4 | 5 | 0 | 0 | 1 | 90.00 |
| 30492 | exec - pair_eam_intel.cpp:335-359 [...] | 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 .omp_outlined] | Innermost | 6.99 | 6.51 | 6.51 | 5.82 | 5.82 | 5.32 | 5.32 | 192 | 534.34 | 0 | 7.42 | 1 | 2.32 | 16 | 1.1 | 1 | 2 | 0 | 0 | 1 | 75.00 |
| 26314 | exec - fix_nve_intel.cpp:78-80 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 2.41 | 2.10 | 2.10 | 2.01 | 2.01 | 1.71 | 1.71 | 192 | 145.70 | 83.33 | 85.42 | 1 | 1 | 1 | 1.18 | 1 | 3 | 0 | 0 | 0 | 100.00 |
| 30423 | 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 .omp_outlined] | Single | 1.83 | 1.64 | 1.64 | 1.52 | 1.52 | 1.34 | 1.34 | 192 | 0.00 | 40 | 13.75 | 1.25 | 1 | 6.67 | 1.14 | 0 | 1 | 1 | 1 | 0 | 75.00 |
| 26323 | exec - fix_nve_intel.cpp:134-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.64 | 1.34 | 1.34 | 1.37 | 1.37 | 1.09 | 1.09 | 192 | 137.36 | 100 | 100 | 1 | 1 | 1 | 1.26 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 24767 | exec - fix_intel.cpp:885-887 | 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 .omp_outlined] | Single | 1.70 | 1.22 | 1.22 | 1.42 | 1.42 | 1.00 | 1.00 | 192 | 66.73 | 100 | 96.43 | 1 | 1 | 1.08 | 1.43 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 27792 | 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 .omp_outlined] | Innermost | 1.48 | 1.20 | 1.20 | 1.23 | 1.23 | 0.98 | 0.98 | 192 | 2086.60 | 48.39 | 25.81 | 1.06 | 1.32 | 5.25 | 1.26 | 1 | 5 | 0 | 0 | 2 | 75.00 |
| 27796 | exec - npair_intel.cpp:364-369 | 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 .omp_outlined] | Innermost | 1.26 | 1.05 | 1.05 | 1.05 | 1.05 | 0.86 | 0.86 | 192 | 1.77 | 0 | 6.25 | 1.29 | 1 | 16 | 1.23 | 1 | 5 | 0 | 0 | 0 | 100.00 |
| 27797 | exec - npair_intel.cpp:343-354 [...] | 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 .omp_outlined] | InBetween | 1.20 | 0.93 | 1.30 | 1.00 | 1.28 | 0.76 | 1.06 | 192 | 407.45 | 0 | 10.42 | 1 | 1 | 14.92 | 1.33 | NA | NA | NA | NA | NA | 0.00 |
| 30448 | exec - pair_eam_intel.cpp:312-323 | 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 .omp_outlined] | Innermost | 0.78 | 0.68 | 0.68 | 0.65 | 0.65 | 0.55 | 0.55 | 192 | 413.63 | 29.17 | 11.37 | 1.25 | 1.98 | 11.03 | 1.18 | 2 | 1 | 0 | 1 | 1 | 72.92 |
| 30433 | exec - pair_eam_intel.cpp:513-527 | 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 .omp_outlined] | Innermost | 0.79 | 0.66 | 0.66 | 0.66 | 0.66 | 0.54 | 0.54 | 192 | 466.89 | 32.5 | 12.03 | 1.36 | 1.74 | 11.83 | 1.24 | 2 | 1 | 0 | 1 | 2.5 | 63.19 |
| 30432 | exec - pair_eam_intel.cpp:541-596 [...] | 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 .omp_outlined] | Innermost | 0.64 | 0.50 | 0.50 | 0.53 | 0.53 | 0.41 | 0.41 | 192 | 965.67 | 11.68 | 9.1 | 1 | 1.97 | 13.21 | 1.32 | 4 | 5 | 0 | 0 | 1 | 90.00 |
| 30491 | 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 .omp_outlined] | Outermost | 0.66 | 0.47 | 31.08 | 0.55 | 25.95 | 0.39 | 25.40 | 192 | 438.40 | 18.18 | 11.93 | 2.06 | 2.03 | 13.2 | 1.43 | NA | NA | NA | NA | NA | 0.00 |
| 1231 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.76 | 0.45 | 0.45 | 0.63 | 0.63 | 0.37 | 0.37 | 192 | 44.71 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.74 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 30477 | exec - pair_eam_intel.cpp:484-606 [...] | 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 .omp_outlined] | Outermost | 0.62 | 0.45 | 42.50 | 0.52 | 35.20 | 0.36 | 34.72 | 192 | 513.99 | 33.33 | 14.58 | 2.1 | 1.6 | 10.18 | 1.43 | NA | NA | NA | NA | NA | 0.00 |
| 8008 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.55 | 0.39 | 0.39 | 0.46 | 0.46 | 0.32 | 0.32 | 192 | 122.19 | 44.44 | 18.06 | 1 | 1.88 | 6.4 | 1.45 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 27798 | 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 .omp_outlined] | Innermost | 0.55 | 0.38 | 0.38 | 0.46 | 0.46 | 0.31 | 0.31 | 192 | 491.27 | 0 | 6.25 | 1 | 1 | 16 | 1.5 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 1147 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.50 | 0.29 | 0.29 | 0.42 | 0.42 | 0.23 | 0.23 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.8 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 24930 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) [clone .omp_outlined] | Single | 0.42 | 0.27 | 0.27 | 0.35 | 0.35 | 0.22 | 0.22 | 192 | 0.00 | 33.33 | 12.5 | 1.75 | 1 | 9.33 | 1.6 | 0 | 3 | 0 | 1 | 0 | 87.50 |
| 8015 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.41 | 0.27 | 0.27 | 0.34 | 0.34 | 0.22 | 0.22 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.57 | 0 | 2 | 0 | 2 | 0 | 75.00 |
| 2670 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.38 | 0.26 | 0.26 | 0.32 | 0.32 | 0.21 | 0.21 | 192 | 0.00 | 0 | 10.94 | 1.76 | 1 | 11.09 | 1.53 | 1.5 | 1 | 0 | 2 | 0.5 | 73.81 |
| 30480 | exec - pair_eam_intel.cpp:439-450 | 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 .omp_outlined] | Single | 0.34 | 0.21 | 0.21 | 0.28 | 0.28 | 0.17 | 0.17 | 192 | 670.74 | 0 | 7.59 | 1.17 | 1.38 | 14.37 | 1.65 | 2 | 1 | 0 | 1 | 2 | 58.33 |
| 27787 | exec - npair_intel.cpp:330-762 [...] | 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 .omp_outlined] | Outermost | 0.35 | 0.20 | 4.02 | 0.29 | 3.41 | 0.17 | 3.28 | 192 | 1568.88 | 3.7 | 9.49 | 4.25 | 1 | 14.11 | 1.76 | NA | NA | NA | NA | NA | 0.00 |
| 30447 | exec - pair_eam_intel.cpp:335-359 [...] | 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 .omp_outlined] | Innermost | 0.30 | 0.19 | 0.19 | 0.25 | 0.25 | 0.15 | 0.15 | 192 | 625.99 | 0 | 7.42 | 1 | 2.32 | 16 | 1.66 | 1 | 2 | 0 | 0 | 1 | 75.00 |
| 27793 | exec - npair_intel.cpp:414-457 [...] | 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 .omp_outlined] | Innermost | 0.29 | 0.15 | 0.15 | 0.24 | 0.24 | 0.13 | 0.13 | 192 | 1810.73 | 12.5 | 8.59 | 1.86 | 3.02 | 14.14 | 1.91 | NA | NA | NA | NA | NA | 0.00 |
| 2666 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.22 | 0.11 | 0.11 | 0.18 | 0.18 | 0.09 | 0.09 | 192 | 0.00 | 0 | 9.62 | 2.72 | 1 | 14.48 | 1.96 | NA | NA | NA | NA | NA | 0.00 |
| 19747 | exec - domain_omp.cpp:71-150 | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined.3] | Single | 0.17 | 0.08 | 0.08 | 0.14 | 0.14 | 0.07 | 0.07 | 192 | 0.00 | 0 | 10.48 | 1.25 | 1.14 | 9.64 | 2.11 | NA | NA | NA | NA | NA | 0.00 |
| 24945 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.18 | 0.08 | 0.08 | 0.15 | 0.15 | 0.07 | 0.07 | 192 | 142.05 | 0 | 8.93 | 1 | 1 | 14.67 | 2.28 | 1 | 0 | 0 | 5 | 1 | 50.00 |
| 948 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.16 | 0.08 | 0.08 | 0.13 | 0.13 | 0.06 | 0.06 | 192 | 278.89 | 0 | 8.84 | 2.21 | 2.01 | 12.75 | 2.11 | 1 | 0 | 0 | 3 | 1 | 50.00 |
| 16422 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.16 | 0.07 | 0.07 | 0.13 | 0.13 | 0.06 | 0.06 | 192 | 92.85 | 0 | 12.5 | 1 | 1.28 | 8 | 2.22 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 27791 | 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 .omp_outlined] | Innermost | 0.16 | 0.07 | 0.07 | 0.13 | 0.13 | 0.05 | 0.05 | 192 | 4424.05 | 28.64 | 11.02 | 1.25 | 2.13 | 10.97 | 2.45 | 1 | 4.5 | 0 | 0 | 1.5 | 79.17 |
| 1148 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.26 | 0.06 | 0.06 | 0.22 | 0.22 | 0.05 | 0.05 | 144 | 55.41 | 0 | 12.5 | 1.14 | 1.28 | 8 | 3.57 | 0 | 2 | 0 | 1 | 1 | 62.50 |
| 1248 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.13 | 0.05 | 0.05 | 0.11 | 0.11 | 0.04 | 0.04 | 185 | 0.00 | 0 | 12.5 | 1.4 | 1 | 8 | 2.81 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 27795 | exec - npair_intel.cpp:392-399 | 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 .omp_outlined] | Innermost | 0.11 | 0.04 | 0.04 | 0.09 | 0.09 | 0.04 | 0.04 | 185 | 0.00 | 0 | 6.25 | 1.71 | 1 | 16 | 2.39 | 2 | 6 | 0 | 0 | 0 | 100.00 |
| 30410 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.04 | 0.04 | 0.10 | 0.10 | 0.04 | 0.04 | 185 | 0.00 | 30.43 | 19.57 | 1 | 1 | 1.54 | 2.69 | 0 | 2 | 0 | 0 | 1 | 66.67 |
| 1286 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.10 | 0.04 | 0.04 | 0.08 | 0.08 | 0.03 | 0.03 | 179 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.55 | 0 | 4 | 1 | 1 | 0 | 87.50 |
| 24944 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.10 | 0.04 | 0.04 | 0.08 | 0.08 | 0.03 | 0.03 | 187 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.7 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 24884 | 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 | 0.10 | 0.03 | 0.03 | 0.08 | 0.08 | 0.03 | 0.03 | 192 | 337.97 | 35.71 | 20.54 | 1 | 1.35 | 5.23 | 3.14 | 3 | 2 | 0 | 0 | 0 | 100.00 |
| 24943 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.10 | 0.03 | 0.07 | 0.08 | 0.11 | 0.03 | 0.05 | 176 | 0.00 | 0 | 9.38 | 1 | 1 | 14.33 | 2.91 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 947 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.02 | 0.02 | 176 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.73 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 7163 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.10 | 0.02 | 0.02 | 0.08 | 0.08 | 0.02 | 0.02 | 192 | 169.61 | 18.75 | 14.84 | 1 | 1.43 | 7.27 | 4 | 0 | 2 | 0 | 0.5 | 0.5 | 85.00 |
| 945 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.07 | 0.02 | 0.02 | 0.06 | 0.06 | 0.02 | 0.02 | 163 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.9 | 1 | 0 | 0 | 1 | 2 | 37.50 |
| 30431 | exec - pair_eam_intel.cpp:484-614 [...] | 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 .omp_outlined] | Outermost | 0.06 | 0.02 | 1.17 | 0.05 | 0.99 | 0.02 | 0.96 | 192 | 648.82 | 43.48 | 20.65 | 2.09 | 2.26 | 9.33 | 2.97 | NA | NA | NA | NA | NA | 0.00 |
| 946 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | Outermost | 0.07 | 0.02 | 0.05 | 0.06 | 0.10 | 0.02 | 0.04 | 160 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 3.21 | 0 | 0 | 0 | 2 | 0 | 50.00 |
| 16421 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.07 | 0.02 | 0.02 | 0.06 | 0.06 | 0.02 | 0.02 | 153 | 2.31 | 100 | 100 | 1 | 1 | 1 | 3.18 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 944 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.06 | 0.02 | 0.04 | 0.05 | 0.08 | 0.01 | 0.03 | 143 | 0.00 | 0 | 8.75 | 1 | 1 | 14.28 | 2.86 | NA | NA | NA | NA | NA | 62.50 |
| 30413 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.06 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 124 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.98 | 0 | 2 | 0 | 0 | 0 | 100.00 |
| 30446 | 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 .omp_outlined] | Outermost | 0.05 | 0.01 | 0.88 | 0.04 | 0.77 | 0.01 | 0.72 | 192 | 479.98 | 18.18 | 12.5 | 2 | 1.97 | 12.19 | 3.78 | NA | NA | NA | NA | NA | 0.00 |
| 19746 | exec - domain_omp.cpp:56-56 | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined] | Single | 0.06 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 114 | 0.00 | NA | NA | 1 | NA | NA | 3.24 | NA | NA | NA | NA | NA | 0.00 |
| 24948 | exec - nbin_intel.cpp:198-198 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.05 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 106 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.67 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 30435 | exec - pair_eam_intel.cpp:439-461 | 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 .omp_outlined] | Single | 0.05 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 192 | 833.67 | 0 | 7.88 | 1.03 | 1.27 | 12.38 | 5.02 | 3 | 1 | 0 | 2 | 2 | 62.50 |
| 1249 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.06 | 0.01 | 0.01 | 0.05 | 0.05 | 0.01 | 0.01 | 123 | 76.56 | 0 | 12.5 | 1.4 | 1.45 | 8 | 4.59 | 0 | 2 | 0 | 1 | 4 | 35.71 |
| 943 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.04 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 73 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.55 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 942 | exec - atom.cpp:2408-2408 | LAMMPS_NS::Atom::sort() | Single | 0.04 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 63 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.36 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 1869 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 180 | 315.39 | 6.56 | 10.86 | 2.67 | 1.78 | 11.91 | 6.1 | NA | NA | NA | NA | NA | 0.00 |
| 12320 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 59 | 12.14 | 1.04 | 7.08 | 4.5 | 1 | 38.32 | 2.15 | NA | NA | NA | NA | NA | 0.00 |
| 1542 | 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 | 38 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 12313 | 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 | 55 | 54.79 | 0 | 12.5 | 1.07 | 1.13 | 8 | 2.04 | 0.5 | 1.5 | 0 | 0.5 | 0 | 93.75 |
| 12121 | 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 | 22 | 0.00 | 0 | 11.81 | 1 | 1 | 9.64 | 1 | 0 | 2 | 0 | 0.67 | 0 | 93.33 |
| 703 | 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 | 107 | 221.84 | 41.67 | 32.29 | 1 | 1.2 | 2.21 | 5.35 | 0 | 2 | 0 | 0.5 | 0.5 | 85.00 |
| 2663 | exec - comm_brick.cpp:612-637 | LAMMPS_NS::CommBrick::reverse_comm() | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 22 | 10.05 | 0 | 7.03 | 1 | 1 | 15.57 | 2.32 | NA | NA | NA | NA | NA | 0.00 |
| 12317 | 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 | 62 | 129.87 | 20 | 15 | 1.11 | 1.21 | 6.67 | 3.45 | 0 | 1.5 | 0 | 0.5 | 0 | 91.67 |
| 2662 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 17 | 0.00 | 0 | 6.79 | 1 | 1 | 15.69 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 2665 | 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 | 17 | 0.00 | 0 | 12.5 | 1.53 | 1 | 8 | 1 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
| 8129 | 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 | 14 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 0 | 1 | 50.00 |
| 3397 | 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 | 12 | 29.82 | 0 | 6.25 | 1 | 1 | 16 | 1.5 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 2669 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.26 | 0.01 | 0.33 | 0.00 | 0.21 | 8 | 0.00 | 1.12 | 8.53 | 4.25 | 1 | 26.37 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 3330 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 100 | 100 | 1.33 | 1 | 1 | 1 | 0 | 1.5 | 0 | 0 | 0 | 100.00 |
| 2680 | exec - comm_brick.cpp:1045-1065 [...] | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 3 | 0.00 | 0 | 7.03 | 1 | 1 | 15.62 | 1.2 | NA | NA | NA | NA | NA | 0.00 |
| 3403 | 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 | 5 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 687 | 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 | 5 | 0.00 | 66.67 | 67.71 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 12275 | 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 | 5 | 0.00 | 13.04 | 13.86 | 1 | 1.59 | 8.76 | 1 | 2.33 | 3 | 0 | 0.67 | 0.67 | 88.89 |
| 2679 | 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 | 4 | 0.00 | 0 | 7.29 | 1 | 1 | 15.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 3324 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 3404 | 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 | 3 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 1018 | exec - atom.cpp:1923-1924 | LAMMPS_NS::Atom::data_fix_compute_variable(int, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 9.38 | 1 | 1 | 12.8 | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
| 3406 | 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 | 111.31 | NA | NA | 1 | NA | NA | 3.33 | 1 | 1 | 0 | 1 | 1 | 62.50 |
| 7988 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 691 | 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 | 21 | 302.20 | 0 | 12.5 | 1 | 1.55 | 8 | 7 | 0 | 1.5 | 0 | 0 | 0.5 | 83.33 |
| 3164 | exec - compute.cpp:229-232 | LAMMPS_NS::Compute::matchstep(long) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 0.00 | 0 | 11.46 | 1 | 1 | 10.29 | 1 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
| 8011 | 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 | 2 | 0.00 | 0 | 7.6 | 1 | 1 | 15.16 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
| 3157 | exec - integrate.cpp:110-111 [...] | LAMMPS_NS::Integrate::ev_set(long) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 8.75 | 1 | 1 | 14.4 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 5 | exec - input.cpp:207-755 [...] | LAMMPS_NS::Input::file() | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 8.66 | 1 | 1 | 25.85 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 972 | 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 | 0 | 9.38 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
| 971 | 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 | 1 | 0.00 | 0 | 8.44 | 1 | 1 | 14 | 1 | 0.5 | 1 | 0 | 0 | 0 | 100.00 |
| 8012 | 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 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 2 | 0 | 2 | 0 | 80.00 |
| 10113 | exec - procmap.cpp:732-742 | LAMMPS_NS::ProcMap::onelevel_grid(int, int*, int*, int, int, int*, int*) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | NA | NA | NA | NA | NA | 25.00 |
| 2664 | exec - comm_brick.cpp:698-758 [...] | LAMMPS_NS::CommBrick::exchange() | Outermost | 0.01 | 0.00 | 0.11 | 0.01 | 0.08 | 0.00 | 0.09 | 1 | 0.00 | 0 | 9.38 | 7.39 | 1 | 14.01 | 1 | NA | NA | NA | NA | NA | 0.00 |
| 8016 | 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 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
| 3536 | 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 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.94 | 1 | 1 | 12.37 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
