Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime aocc_2 (%) | Exclusive Coverage aocc_2 (%) | Inclusive Coverage aocc_2 (%) | Max Exclusive Time Over Threads aocc_2 (s) | Max Inclusive Time Over Threads aocc_2 (s) | Exclusive Time w.r.t. Wall Time aocc_2 (s) | Inclusive Time w.r.t. Wall Time aocc_2 (s) | Nb Threads aocc_2 | GFLOPS aocc_2 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing aocc_2 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
---|
30401 | 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 | 26.29 | 25.99 | 25.99 | 21.88 | 21.88 | 21.25 | 21.25 | 192 | 401.33 | 26.54 | 10.91 | 1.31 | 2.07 | 11.39 | 1.03 | 2 | 1 | 0 | 1 | 1 | 72.92 |
30387 | 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 | 25.61 | 25.07 | 25.07 | 21.31 | 21.31 | 20.49 | 20.49 | 192 | 470.03 | 29.95 | 11.58 | 1.42 | 1.81 | 12.13 | 1.04 | 2 | 1 | 0 | 1 | 2.5 | 63.19 |
30386 | 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 | 16.63 | 15.93 | 15.93 | 13.84 | 13.84 | 13.03 | 13.03 | 192 | 974.21 | 13.64 | 9.09 | 1 | 1.97 | 13.91 | 1.07 | 4 | 5 | 0 | 0 | 1 | 90.00 |
30400 | 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 | 7.19 | 6.63 | 6.63 | 5.98 | 5.98 | 5.42 | 5.42 | 192 | 553.27 | 0 | 7.42 | 1 | 2.32 | 16 | 1.11 | 1 | 2 | 0 | 0 | 1 | 75.00 |
26231 | exec - fix_nve_intel.cpp:78-80 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 2.37 | 2.14 | 2.14 | 1.97 | 1.97 | 1.75 | 1.75 | 192 | 143.24 | 83.33 | 85.42 | 1 | 1 | 1 | 1.13 | 1 | 3 | 0 | 0 | 0 | 100.00 |
30334 | 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 | 1.86 | 1.64 | 1.64 | 1.55 | 1.55 | 1.34 | 1.34 | 192 | 0.00 | 40 | 13.75 | 1.25 | 1 | 6.67 | 1.16 | 0 | 1 | 1 | 1 | 0 | 75.00 |
26240 | exec - fix_nve_intel.cpp:134-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.66 | 1.32 | 1.32 | 1.38 | 1.38 | 1.08 | 1.08 | 192 | 140.39 | 100 | 100 | 1 | 1 | 1 | 1.29 | 0 | 2 | 0 | 0 | 0 | 100.00 |
24684 | 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 | 1.79 | 1.26 | 1.26 | 1.49 | 1.49 | 1.03 | 1.03 | 192 | 63.69 | 100 | 96.43 | 1 | 1 | 1.08 | 1.45 | 0 | 2 | 0 | 0 | 0 | 100.00 |
27703 | 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 | 1.49 | 1.20 | 1.20 | 1.24 | 1.24 | 0.98 | 0.98 | 192 | 2052.48 | 48.39 | 25.81 | 1.06 | 1.32 | 5.25 | 1.27 | 1 | 5 | 0 | 0 | 2 | 75.00 |
27707 | 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 | 1.30 | 1.05 | 1.05 | 1.08 | 1.08 | 0.86 | 0.86 | 192 | 1.65 | 0 | 6.25 | 1.29 | 1 | 16 | 1.26 | 1 | 5 | 0 | 0 | 0 | 100.00 |
27708 | 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 | 1.24 | 0.91 | 1.30 | 1.03 | 1.35 | 0.75 | 1.06 | 192 | 400.22 | 0 | 10.42 | 1 | 1 | 14.92 | 1.38 | NA | NA | NA | NA | NA | 0.00 |
30359 | 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 | 0.79 | 0.69 | 0.69 | 0.66 | 0.66 | 0.56 | 0.56 | 192 | 410.34 | 26.54 | 10.91 | 1.31 | 2.07 | 11.39 | 1.18 | 2 | 1 | 0 | 1 | 1 | 72.92 |
30344 | 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 | 0.81 | 0.67 | 0.67 | 0.67 | 0.67 | 0.55 | 0.55 | 192 | 471.43 | 29.95 | 11.58 | 1.42 | 1.81 | 12.13 | 1.23 | 2 | 1 | 0 | 1 | 2.5 | 63.19 |
30343 | 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 | 0.49 | 0.49 | 0.53 | 0.53 | 0.40 | 0.40 | 192 | 957.78 | 11.68 | 9.1 | 1 | 1.97 | 13.21 | 1.32 | 4 | 5 | 0 | 0 | 1 | 90.00 |
30399 | 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 | 0.64 | 0.47 | 33.09 | 0.53 | 27.63 | 0.38 | 27.05 | 192 | 473.53 | 18.18 | 11.93 | 2.06 | 2.03 | 13.2 | 1.39 | NA | NA | NA | NA | NA | 0.00 |
1229 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.66 | 0.43 | 0.43 | 0.55 | 0.55 | 0.36 | 0.36 | 192 | 46.72 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.55 | 0 | 2 | 0 | 1 | 1 | 62.50 |
7990 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.66 | 0.41 | 0.41 | 0.55 | 0.55 | 0.33 | 0.33 | 192 | 115.45 | 44.44 | 18.06 | 1 | 1.88 | 6.4 | 1.65 | 0 | 2 | 0 | 2 | 0 | 75.00 |
27709 | 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 | 0.60 | 0.38 | 0.38 | 0.50 | 0.50 | 0.31 | 0.31 | 192 | 469.74 | 0 | 6.25 | 1 | 1 | 16 | 1.6 | 0 | 2 | 0 | 0 | 0 | 100.00 |
30385 | 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 | 0.56 | 0.36 | 41.36 | 0.47 | 34.32 | 0.30 | 33.82 | 192 | 570.91 | 33.33 | 14.58 | 2.1 | 1.6 | 10.18 | 1.59 | NA | NA | NA | NA | NA | 0.00 |
24847 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) [clone .omp_outlined] | Single | 0.38 | 0.27 | 0.27 | 0.32 | 0.32 | 0.22 | 0.22 | 192 | 0.00 | 33.33 | 12.5 | 1.75 | 1 | 9.33 | 1.44 | 0 | 3 | 0 | 1 | 0 | 87.50 |
7997 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.40 | 0.26 | 0.26 | 0.33 | 0.33 | 0.21 | 0.21 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.58 | 0 | 2 | 0 | 2 | 0 | 75.00 |
1145 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.49 | 0.26 | 0.26 | 0.41 | 0.41 | 0.21 | 0.21 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.96 | 0 | 2 | 0 | 1 | 1 | 62.50 |
2666 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.44 | 0.25 | 0.25 | 0.37 | 0.37 | 0.21 | 0.21 | 192 | 0.00 | 0 | 10.94 | 1.73 | 1 | 11.14 | 1.79 | 1.5 | 1 | 0 | 2 | 0.5 | 73.81 |
30388 | 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 | 0.40 | 0.22 | 0.22 | 0.33 | 0.33 | 0.18 | 0.18 | 192 | 648.95 | 0 | 7.59 | 1.17 | 1.38 | 14.37 | 1.88 | 2 | 1 | 0 | 1 | 2 | 58.33 |
27698 | 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 | 0.34 | 0.20 | 4.02 | 0.28 | 3.38 | 0.17 | 3.29 | 192 | 1525.47 | 0 | 9.1 | 4.36 | 1 | 14.23 | 1.69 | NA | NA | NA | NA | NA | 0.00 |
30358 | 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 | 600.38 | 0 | 7.42 | 1 | 2.32 | 16 | 1.63 | 1 | 2 | 0 | 0 | 1 | 75.00 |
27704 | exec - npair_intel.cpp:414-474 [...] | 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 | 0.30 | 0.15 | 0.15 | 0.25 | 0.25 | 0.13 | 0.13 | 192 | 1814.67 | 0 | 6.51 | 1.84 | 2.83 | 15.75 | 1.99 | NA | NA | NA | NA | NA | 0.00 |
2662 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.19 | 0.11 | 0.11 | 0.16 | 0.16 | 0.09 | 0.09 | 192 | 0.00 | 0 | 9.62 | 2.72 | 1 | 14.48 | 1.81 | NA | NA | NA | NA | NA | 0.00 |
24862 | 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 | 0.06 | 0.06 | 192 | 126.02 | 0 | 8.93 | 1 | 1 | 14.67 | 2.36 | 1 | 0 | 0 | 5 | 1 | 50.00 |
946 | 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 | 278.39 | 0 | 8.84 | 2.21 | 2.01 | 12.75 | 2.09 | 1 | 0 | 0 | 3 | 1 | 50.00 |
19661 | exec - domain_omp.cpp:71-150 | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined.3] | Single | 0.18 | 0.07 | 0.07 | 0.15 | 0.15 | 0.06 | 0.06 | 192 | 0.08 | 0 | 10.54 | 1.25 | 1.14 | 9.64 | 2.53 | NA | NA | NA | NA | NA | 0.00 |
16364 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.14 | 0.07 | 0.07 | 0.12 | 0.12 | 0.06 | 0.06 | 192 | 97.11 | 0 | 12.5 | 1 | 1.28 | 8 | 2.16 | 0 | 2 | 0 | 0 | 1 | 66.67 |
19660 | exec - domain_omp.cpp:56-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone .omp_outlined] | Single | 0.13 | 0.06 | 0.06 | 0.11 | 0.11 | 0.05 | 0.05 | 192 | 0.00 | 0 | 9.38 | 1 | 1 | 13.71 | 2.24 | 0 | 1 | 0 | 0 | 0 | 100.00 |
27702 | 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 | 0.14 | 0.06 | 0.06 | 0.12 | 0.12 | 0.05 | 0.05 | 192 | 4338.23 | 0 | 6.99 | 1.16 | 1.97 | 15.53 | 2.49 | 1 | 4.5 | 0 | 0 | 1.5 | 79.17 |
27706 | 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 | 0.13 | 0.05 | 0.05 | 0.11 | 0.11 | 0.04 | 0.04 | 190 | 0.06 | 0 | 6.25 | 1.71 | 1 | 16 | 2.48 | 2 | 6 | 0 | 0 | 0 | 100.00 |
1146 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.25 | 0.05 | 0.05 | 0.21 | 0.21 | 0.04 | 0.04 | 144 | 61.12 | 0 | 12.5 | 1.14 | 1.28 | 8 | 3.91 | 0 | 2 | 0 | 1 | 1 | 62.50 |
30321 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.05 | 0.05 | 0.10 | 0.10 | 0.04 | 0.04 | 188 | 0.00 | 30.43 | 19.57 | 1 | 1 | 1.54 | 2.54 | 0 | 2 | 0 | 0 | 1 | 66.67 |
1246 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.14 | 0.05 | 0.05 | 0.12 | 0.12 | 0.04 | 0.04 | 187 | 0.00 | 0 | 12.5 | 1.4 | 1 | 8 | 3.04 | 0 | 2 | 0 | 1 | 4 | 35.71 |
24861 | 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 | 182 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.48 | 0 | 1 | 0 | 0 | 1 | 50.00 |
1284 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.03 | 0.03 | 184 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 2.38 | 0 | 4 | 1 | 1 | 0 | 87.50 |
24860 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.08 | 0.03 | 0.07 | 0.07 | 0.11 | 0.03 | 0.06 | 178 | 0.00 | 0 | 9.38 | 1 | 1 | 14.33 | 2.4 | 0 | 0 | 0 | 2 | 0 | 50.00 |
24801 | 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 | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.03 | 0.03 | 192 | 324.67 | 35.71 | 20.54 | 1 | 1.35 | 5.23 | 2.67 | 3 | 2 | 0 | 0 | 0 | 100.00 |
945 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.02 | 0.02 | 175 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.72 | 0 | 1 | 0 | 0 | 1 | 50.00 |
7147 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.07 | 0.03 | 0.03 | 0.06 | 0.06 | 0.02 | 0.02 | 192 | 166.50 | 18.75 | 14.84 | 1 | 1.43 | 7.27 | 2.77 | 0 | 2 | 0 | 0.5 | 0.5 | 85.00 |
30342 | 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 | 0.07 | 0.02 | 1.18 | 0.06 | 1.01 | 0.02 | 0.96 | 192 | 636.44 | 43.48 | 20.65 | 2.09 | 2.26 | 9.33 | 3.51 | NA | NA | NA | NA | NA | 0.00 |
943 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.07 | 0.02 | 0.02 | 0.06 | 0.06 | 0.02 | 0.02 | 151 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.97 | 1 | 0 | 0 | 1 | 2 | 37.50 |
16363 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.06 | 0.02 | 0.02 | 0.05 | 0.05 | 0.01 | 0.01 | 146 | 1.67 | 100 | 100 | 1 | 1 | 1 | 2.54 | 0 | 2 | 0 | 0 | 0 | 100.00 |
944 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | Outermost | 0.06 | 0.02 | 0.05 | 0.05 | 0.10 | 0.01 | 0.04 | 147 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2.62 | 0 | 0 | 0 | 2 | 0 | 50.00 |
30357 | 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 | 0.07 | 0.02 | 0.89 | 0.06 | 0.78 | 0.01 | 0.73 | 192 | 433.69 | 18.18 | 12.5 | 2 | 1.97 | 12.19 | 4.76 | NA | NA | NA | NA | NA | 0.00 |
30324 | 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 | 131 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.98 | 0 | 2 | 0 | 0 | 0 | 100.00 |
942 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.05 | 0.01 | 0.03 | 0.04 | 0.08 | 0.01 | 0.03 | 124 | 0.00 | 0 | 8.75 | 1 | 1 | 14.28 | 2.62 | NA | NA | NA | NA | NA | 62.50 |
24865 | 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 | 116 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.62 | 1 | 1 | 0 | 0 | 0 | 100.00 |
1247 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.07 | 0.01 | 0.01 | 0.06 | 0.06 | 0.01 | 0.01 | 118 | 65.69 | 0 | 12.5 | 1.4 | 1.45 | 8 | 4.99 | 0 | 2 | 0 | 1 | 4 | 35.71 |
30346 | 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 | 0.04 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 192 | 1007.56 | 0 | 7.88 | 1.03 | 1.27 | 12.38 | 4.47 | 3 | 1 | 0 | 2 | 2 | 62.50 |
941 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.04 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 79 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.42 | 1 | 1 | 0 | 0 | 0 | 100.00 |
940 | exec - atom.cpp:2408-2408 | LAMMPS_NS::Atom::sort() | Single | 0.04 | 0.00 | 0.00 | 0.03 | 0.03 | 0.00 | 0.00 | 62 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.55 | 1 | 1 | 0 | 0 | 0 | 100.00 |
12267 | exec - timer.h:54-102 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.04 | 0.00 | 0.00 | 0.03 | 0.03 | 0.00 | 0.00 | 57 | 6.49 | 0 | 6.95 | 4.42 | 1 | 37.84 | 2.9 | NA | NA | NA | NA | NA | 0.00 |
1867 | 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 | 184 | 398.61 | 6.25 | 10.94 | 2.57 | 1.78 | 11.91 | 7.22 | NA | NA | NA | NA | NA | 0.00 |
1540 | 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 | 37 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
701 | 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 | 227.19 | 41.67 | 32.29 | 1 | 1.2 | 2.21 | 5.35 | 0 | 2 | 0 | 0.5 | 0.5 | 85.00 |
2661 | exec - comm_brick.cpp:755-758 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 16 | 0.00 | 0 | 12.5 | 1.5 | 1 | 8 | 1.88 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
12264 | 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 | 162.62 | 20 | 15 | 1.11 | 1.21 | 6.67 | 4.13 | 0 | 1.5 | 0 | 0.5 | 0 | 91.67 |
12260 | 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 | 57 | 146.70 | 0 | 12.5 | 1.07 | 1.13 | 8 | 3.8 | 0.5 | 1.5 | 0 | 0.5 | 0 | 93.75 |
2658 | 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 | 13 | 0.00 | 0 | 6.79 | 1 | 1 | 15.69 | 1 | NA | NA | NA | NA | NA | 0.00 |
2659 | exec - comm_brick.cpp:612-637 | LAMMPS_NS::CommBrick::reverse_comm() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 14 | 11.96 | 0 | 7.03 | 1 | 1 | 15.57 | 1.17 | NA | NA | NA | NA | NA | 0.00 |
12068 | 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 | 12 | 0.00 | 0 | 11.81 | 1 | 1 | 9.64 | 1 | 0 | 2 | 0 | 0.67 | 0 | 93.33 |
8111 | 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 | 11 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 0 | 1 | 50.00 |
3387 | 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 | 10 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
2676 | exec - comm_brick.cpp:1045-1065 [...] | LAMMPS_NS::CommBrick::reverse_comm(LAMMPS_NS::Pair*, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 7 | 0.00 | 0 | 7.03 | 1 | 1 | 15.62 | 1 | NA | NA | NA | NA | NA | 0.00 |
2665 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.01 | 0.00 | 0.25 | 0.01 | 0.21 | 0.00 | 0.21 | 6 | 0.00 | 1.12 | 8.53 | 4.25 | 1 | 26.37 | 1 | NA | NA | NA | NA | NA | 0.00 |
3161 | 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 | 6 | 0.00 | 0 | 11.46 | 1 | 1 | 10.29 | 1 | 0.5 | 0 | 0 | 1 | 0 | 62.50 |
685 | 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 | 6 | 0.00 | 66.67 | 67.71 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
12222 | 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 |
2675 | 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 | 5 | 0.00 | 0 | 7.29 | 1 | 1 | 15.33 | 1 | NA | NA | NA | NA | NA | 0.00 |
689 | 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 | 14 | 95.67 | 0 | 12.5 | 1 | 1.55 | 8 | 2.8 | 0 | 1.5 | 0 | 0 | 0.5 | 83.33 |
3381 | 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 | 7 | 47.83 | 0 | 6.25 | 1 | 1 | 16 | 1.75 | 1 | 1 | 0 | 1 | 1 | 62.50 |
971 | exec - atom.cpp:945-945 | LAMMPS_NS::Atom::tag_extend() | 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 |
7994 | 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 | 3 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 2 | 0 | 2 | 0 | 80.00 |
3308 | exec - modify.cpp:290-291 | LAMMPS_NS::Modify::init() | Single | 0.01 | 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 |
1866 | exec - create_atoms.cpp:1469-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 20 | 430.53 | 14.29 | 10.71 | 2.14 | 1 | 11.79 | 10 | NA | NA | NA | NA | NA | 0.00 |
1016 | 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 | 2 | 0.00 | 0 | 9.38 | 1 | 1 | 12.8 | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
7993 | 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 |
2890 | 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 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 11.94 | 1 | 1 | 12.37 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
16408 | exec - pair_eam.cpp:661-674 | LAMMPS_NS::PairEAM::file2array() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 3.7 | 12.04 | 1 | 3.03 | 8 | 1 | 2 | 1 | 0 | 0 | 1 | 75.00 |
3388 | 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 | 2 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
969 | 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 |
3154 | 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 | 1 | 0.00 | 0 | 8.75 | 1 | 1 | 14.4 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
3314 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 100 | 100 | 1.33 | 1 | 1 | 1 | 0 | 1.5 | 0 | 0 | 0 | 100.00 |
3390 | 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 | 6 | 239.15 | NA | NA | 1 | NA | NA | 6 | 1 | 1 | 0 | 1 | 1 | 62.50 |
26230 | exec - fix_nve_intel.cpp:78-80 | LAMMPS_NS::FixNVEIntel::initial_integrate(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 | 3 | 0 | 0 | 0 | 100.00 |
16362 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | 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 | 0 | 2 | 0 | 0 | 0 | 100.00 |
24685 | 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 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 100 | 62.04 | 1 | 1.33 | 1.54 | 1 | 0 | 2 | 0 | 0 | 0 | 100.00 |
11903 | exec - utils.cpp:2565-2575 [...] | matchpattern(regex_t*, char const*, int*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.45 | 1 | 1 | 37.74 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
2660 | exec - comm_brick.cpp:698-758 [...] | LAMMPS_NS::CommBrick::exchange() | Outermost | 0.01 | 0.00 | 0.11 | 0.01 | 0.15 | 0.00 | 0.09 | 1 | 0.00 | 0 | 9.38 | 7.39 | 1 | 14.01 | 1 | NA | NA | NA | NA | NA | 0.00 |
16396 | exec - pair_eam.cpp:757-786 [...] | LAMMPS_NS::PairEAM::file2array() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 95.67 | 21.57 | 14.58 | 1 | 3.86 | 7.72 | 3 | 3 | 1 | 0 | 0 | 2 | 66.67 |
3316 | exec - modify.cpp:263-264 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 10.94 | 1 | 1 | 11.43 | 1 | 0.5 | 1 | 0 | 1.5 | 0.5 | 67.50 |
27970 | exec - npair_intel.cpp:256-257 | 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) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
970 | 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 |