Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime gcc_10 (%) | Exclusive Coverage gcc_10 (%) | Inclusive Coverage gcc_10 (%) | Max Exclusive Time Over Threads gcc_10 (s) | Max Inclusive Time Over Threads gcc_10 (s) | Exclusive Time w.r.t. Wall Time gcc_10 (s) | Inclusive Time w.r.t. Wall Time gcc_10 (s) | Nb Threads gcc_10 | GFLOPS gcc_10 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing gcc_10 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
---|
24741 | 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_fn.0] | Innermost | 23.48 | 23.07 | 23.07 | 21.36 | 21.36 | 20.41 | 20.41 | 192 | 313.70 | 0 | 6.25 | 1.23 | 1.65 | 16 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
24732 | 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_fn.0] | Innermost | 21.92 | 21.40 | 21.40 | 19.94 | 19.94 | 18.93 | 18.93 | 192 | 357.53 | 0 | 6.25 | 1.14 | 1.14 | 16 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
24733 | 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_fn.0] | Innermost | 16.03 | 15.62 | 15.62 | 14.59 | 14.59 | 13.81 | 13.81 | 192 | 765.77 | 4.55 | 8.81 | 1 | 1.49 | 14.4 | 1.06 | 2 | 5 | 0 | 2 | 1 | 80.00 |
22606 | 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_fn.0] | Innermost | 9.10 | 8.90 | 8.90 | 8.28 | 8.28 | 7.87 | 7.87 | 192 | 345.32 | 0 | 6.73 | 1.13 | 1.75 | 15.36 | 1.05 | NA | NA | NA | NA | NA | 0.00 |
24742 | 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_fn.0] | Innermost | 6.07 | 5.43 | 5.43 | 5.52 | 5.52 | 4.80 | 4.80 | 192 | 467.64 | 0 | 7.5 | 1 | 2.32 | 16 | 1.15 | 0 | 0 | 0 | 5 | 0 | 50.00 |
6555 | exec - fix_nve_intel.cpp:78-80 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 2.25 | 1.93 | 1.93 | 2.05 | 2.05 | 1.71 | 1.71 | 192 | 117.23 | 0 | 12.5 | 1 | 1 | 8 | 1.2 | 1 | 3 | 0 | 0 | 0 | 100.00 |
24740 | 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_fn.0] | Outermost | 1.92 | 1.57 | 30.07 | 1.75 | 27.26 | 1.39 | 26.60 | 192 | 403.73 | 3.33 | 7.71 | 1.79 | 2.22 | 15.08 | 1.26 | NA | NA | NA | NA | NA | 0.00 |
24870 | 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_fn.0] | Single | 1.68 | 1.52 | 1.52 | 1.53 | 1.53 | 1.35 | 1.35 | 192 | 0.00 | 0 | 9.38 | 1.17 | 1 | 9.33 | 1.14 | 0 | 1 | 1 | 4 | 0 | 62.50 |
6413 | 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 ._omp_fn.0] | Single | 1.84 | 1.40 | 1.40 | 1.67 | 1.67 | 1.24 | 1.24 | 192 | 54.31 | 0 | 12.5 | 1 | 1 | 8 | 1.35 | 0 | 1 | 3 | 0 | 0 | 81.25 |
6558 | exec - fix_nve_intel.cpp:134-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 1.71 | 1.27 | 1.27 | 1.56 | 1.56 | 1.12 | 1.12 | 192 | 89.14 | 0 | 12.5 | 1 | 1 | 8 | 1.39 | 0 | 2 | 0 | 0 | 0 | 100.00 |
22613 | 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_fn.0] | InBetween | 1.23 | 1.02 | 1.34 | 1.12 | 1.45 | 0.90 | 1.18 | 192 | 177.79 | 0 | 8.97 | 1 | 1 | 13.92 | 1.25 | NA | NA | NA | NA | NA | 0.00 |
22614 | 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_fn.0] | Innermost | 1.13 | 0.91 | 0.91 | 1.03 | 1.03 | 0.80 | 0.80 | 192 | 0.06 | 0 | 6.25 | 1.29 | 1 | 16 | 1.28 | 0 | 5 | 0 | 4 | 0 | 77.78 |
24731 | 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_fn.0] | Outermost | 1.13 | 0.85 | 37.87 | 1.03 | 34.28 | 0.75 | 33.50 | 192 | 619.54 | 9.23 | 9.52 | 1.63 | 1.8 | 14.69 | 1.37 | NA | NA | NA | NA | NA | 0.00 |
24722 | 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_fn.0] | Innermost | 0.70 | 0.61 | 0.61 | 0.64 | 0.64 | 0.54 | 0.54 | 192 | 316.56 | 0 | 6.25 | 1.23 | 1.65 | 16 | 1.18 | NA | NA | NA | NA | NA | 0.00 |
24714 | 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_fn.0] | Innermost | 0.68 | 0.57 | 0.57 | 0.62 | 0.62 | 0.51 | 0.51 | 192 | 353.23 | 0 | 6.25 | 1.14 | 1.14 | 16 | 1.22 | NA | NA | NA | NA | NA | 0.00 |
22607 | 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_fn.0] | Outermost | 0.75 | 0.55 | 11.85 | 0.68 | 10.69 | 0.49 | 10.48 | 192 | 331.72 | 0 | 8.17 | 3.21 | 2.31 | 14.4 | 1.4 | NA | NA | NA | NA | NA | 0.00 |
24715 | 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_fn.0] | Innermost | 0.64 | 0.49 | 0.49 | 0.58 | 0.58 | 0.43 | 0.43 | 192 | 760.70 | 3.89 | 8.73 | 1 | 1.48 | 11.92 | 1.34 | 2 | 5 | 0 | 2 | 1 | 80.00 |
7090 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.63 | 0.40 | 0.40 | 0.57 | 0.57 | 0.35 | 0.35 | 192 | 46.31 | 0 | 12.5 | 1.1 | 1.19 | 8 | 1.62 | 0 | 1 | 2 | 4 | 1 | 56.25 |
1796 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.53 | 0.37 | 0.37 | 0.48 | 0.48 | 0.33 | 0.33 | 192 | 116.68 | 0 | 12.5 | 1 | 1.28 | 8 | 1.46 | 0 | 2 | 0 | 8 | 0 | 60.00 |
22615 | 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_fn.0] | Innermost | 0.52 | 0.32 | 0.32 | 0.47 | 0.47 | 0.28 | 0.28 | 192 | 118.64 | 0 | 6.25 | 1 | 1 | 16 | 1.67 | 0 | 2 | 0 | 0 | 0 | 100.00 |
6532 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) [clone ._omp_fn.0] | Single | 0.37 | 0.24 | 0.24 | 0.34 | 0.34 | 0.21 | 0.21 | 192 | 0.00 | 0 | 8.93 | 1.5 | 1 | 12 | 1.6 | 0 | 1 | 2 | 4 | 0 | 64.29 |
1881 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.36 | 0.24 | 0.24 | 0.33 | 0.33 | 0.21 | 0.21 | 192 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1.58 | 0 | 2 | 0 | 8 | 0 | 60.00 |
24734 | 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_fn.0] | Single | 0.41 | 0.23 | 0.23 | 0.37 | 0.37 | 0.20 | 0.20 | 192 | 568.86 | 6.25 | 8.2 | 1.27 | 1.57 | 14.67 | 1.86 | 2 | 0 | 0 | 1 | 2 | 50.00 |
7837 | exec - comm_brick.cpp:841-915 [...] | LAMMPS_NS::CommBrick::borders() | Innermost | 0.37 | 0.22 | 0.22 | 0.34 | 0.34 | 0.20 | 0.20 | 192 | 0.00 | 0 | 10.53 | 3.78 | 1 | 12.71 | 1.72 | NA | NA | NA | NA | NA | 0.00 |
7197 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.38 | 0.22 | 0.22 | 0.35 | 0.35 | 0.20 | 0.20 | 192 | 0.00 | 0 | 12.5 | 1.14 | 1 | 8 | 1.77 | 0 | 1 | 2 | 4 | 1 | 56.25 |
24723 | 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_fn.0] | Innermost | 0.26 | 0.15 | 0.15 | 0.24 | 0.24 | 0.13 | 0.13 | 192 | 519.67 | 0 | 7.81 | 1 | 2.32 | 16 | 1.79 | 0 | 3 | 0 | 4 | 0 | 71.43 |
22612 | 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_fn.0] | Innermost | 0.24 | 0.14 | 0.14 | 0.22 | 0.22 | 0.13 | 0.13 | 192 | 705.21 | 0 | 6.4 | 1.62 | 2.38 | 15.85 | 1.74 | NA | NA | NA | NA | NA | 0.00 |
7810 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.20 | 0.10 | 0.10 | 0.18 | 0.18 | 0.09 | 0.09 | 192 | 0.00 | 0 | 9.03 | 2.88 | 1 | 14.4 | 2.03 | NA | NA | NA | NA | NA | 0.00 |
6946 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.14 | 0.07 | 0.07 | 0.13 | 0.13 | 0.06 | 0.06 | 192 | 270.55 | 0 | 9.15 | 1.98 | 1.95 | 12.29 | 2.04 | 1 | 0 | 0 | 4 | 0 | 60.00 |
5660 | exec - domain_omp.cpp:74-150 | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.1] | Single | 0.13 | 0.06 | 0.06 | 0.12 | 0.12 | 0.06 | 0.06 | 192 | 0.09 | 0 | 11.38 | 1.5 | 1.31 | 9.6 | 2.13 | NA | NA | NA | NA | NA | 0.00 |
6535 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.14 | 0.06 | 0.06 | 0.13 | 0.13 | 0.06 | 0.06 | 192 | 117.71 | 0 | 7.81 | 1 | 1 | 16 | 2.31 | 1 | 0 | 0 | 12 | 0 | 53.85 |
16916 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.21 | 0.06 | 0.06 | 0.19 | 0.19 | 0.05 | 0.05 | 192 | 97.23 | 0 | 12.5 | 1 | 1.28 | 8 | 3.46 | 0 | 2 | 0 | 8 | 0 | 60.00 |
5661 | exec - domain_omp.cpp:57-57 [...] | LAMMPS_NS::DomainOMP::pbc() [clone ._omp_fn.0] | Single | 0.15 | 0.06 | 0.06 | 0.14 | 0.14 | 0.05 | 0.05 | 191 | 0.00 | 20 | 12.5 | 1 | 1 | 12.18 | 2.64 | 0 | 1 | 0 | 0 | 0 | 100.00 |
7183 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.20 | 0.05 | 0.05 | 0.18 | 0.18 | 0.04 | 0.04 | 144 | 61.12 | 0 | 12.5 | 1.14 | 1.28 | 8 | 3.26 | 0 | 1 | 2 | 4 | 1 | 56.25 |
24721 | 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_fn.0] | Outermost | 0.11 | 0.04 | 0.81 | 0.10 | 0.76 | 0.04 | 0.72 | 192 | 439.10 | 3.45 | 8.19 | 1.78 | 2.35 | 14.87 | 2.61 | NA | NA | NA | NA | NA | 0.00 |
24635 | 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 | 0.11 | 0.11 | 0.04 | 0.04 | 189 | 0.00 | 0 | 9.38 | 1 | 1 | 12 | 2.99 | 0 | 2 | 0 | 0 | 1 | 66.67 |
7168 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.12 | 0.04 | 0.04 | 0.11 | 0.11 | 0.04 | 0.04 | 186 | 0.00 | 0 | 12.5 | 1.4 | 1 | 8 | 2.97 | 0 | 1 | 2 | 2 | 4 | 38.89 |
6534 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.09 | 0.04 | 0.04 | 0.08 | 0.08 | 0.03 | 0.03 | 184 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 2.47 | 0 | 1 | 0 | 0 | 1 | 50.00 |
6486 | 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 | 263.89 | 0 | 11.25 | 1 | 1.14 | 9.14 | 2.55 | 3 | 0 | 3 | 0 | 0 | 87.50 |
7151 | exec - atom_vec.cpp:1035-1041 | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.10 | 0.03 | 0.03 | 0.09 | 0.09 | 0.03 | 0.03 | 181 | 0.00 | 0 | 10.42 | 2.17 | 1 | 10.95 | 3.23 | 0 | 0 | 6 | 4 | 0 | 65.00 |
6945 | exec - atom.cpp:2439-2441 | LAMMPS_NS::Atom::sort() | Innermost | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.03 | 0.03 | 180 | 0.00 | 0 | 9.38 | 1 | 1 | 16 | 2.6 | 0 | 1 | 0 | 0 | 1 | 50.00 |
6943 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.08 | 0.03 | 0.03 | 0.07 | 0.07 | 0.02 | 0.02 | 182 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.72 | 3 | 0 | 0 | 1 | 0 | 87.50 |
6533 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.11 | 0.03 | 0.06 | 0.10 | 0.12 | 0.02 | 0.05 | 179 | 0.00 | 0 | 6.88 | 1 | 1 | 15.36 | 3.9 | 0 | 0 | 0 | 2 | 0 | 50.00 |
9051 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Innermost | 0.08 | 0.02 | 0.02 | 0.07 | 0.07 | 0.02 | 0.02 | 192 | 172.67 | 0 | 11.36 | 1.13 | 1.24 | 9 | 3.51 | NA | NA | NA | NA | NA | 0.00 |
24633 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.07 | 0.02 | 0.02 | 0.06 | 0.06 | 0.02 | 0.02 | 167 | 0.00 | 0 | 9.38 | 1 | 1 | 8 | 2.66 | 0 | 2 | 0 | 0 | 0 | 100.00 |
16915 | exec - pair_eam.cpp:965-965 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Single | 0.09 | 0.02 | 0.02 | 0.08 | 0.08 | 0.02 | 0.02 | 164 | 1.79 | 0 | 12.5 | 1 | 1 | 8 | 3.49 | 0 | 2 | 0 | 0 | 0 | 100.00 |
24713 | 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_fn.0] | Outermost | 0.08 | 0.02 | 1.09 | 0.07 | 1.00 | 0.02 | 0.96 | 192 | 623.31 | 12.5 | 10.24 | 1.64 | 1.79 | 14.56 | 3.81 | NA | NA | NA | NA | NA | 0.00 |
6944 | exec - atom.cpp:2437-2441 | LAMMPS_NS::Atom::sort() | Outermost | 0.07 | 0.02 | 0.05 | 0.06 | 0.11 | 0.02 | 0.04 | 148 | 0.00 | 0 | 6.88 | 1 | 1 | 15.36 | 2.99 | 0 | 0 | 0 | 2 | 0 | 50.00 |
6942 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.09 | 0.02 | 0.04 | 0.08 | 0.11 | 0.01 | 0.04 | 142 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 4.44 | NA | NA | NA | NA | NA | 62.50 |
7167 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.04 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 131 | 70.49 | 0 | 12.5 | 1.4 | 1.45 | 8 | 3.52 | 0 | 1 | 2 | 2 | 4 | 38.89 |
6538 | exec - nbin_intel.cpp:198-198 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.04 | 0.01 | 0.01 | 0.04 | 0.04 | 0.01 | 0.01 | 101 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.84 | 1 | 1 | 0 | 0 | 0 | 100.00 |
24712 | exec - pair_eam_intel.cpp:439-462 | 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_fn.0] | Single | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 192 | 992.50 | 3.67 | 8.85 | 1.08 | 1.45 | 11.99 | 4.5 | 1.5 | 1 | 0 | 1 | 2 | 54.17 |
22611 | exec - npair_intel.cpp:392-398 | void LAMMPS_NS::NPairIntel::bin_newton<float, double, 0, 0, 0, 0, 0>(int, LAMMPS_NS::NeighList*, LAMMPS_NS::IntelBuffers<float, double>*, int, int, int) [clone ._omp_fn.0] | Innermost | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.01 | 0.01 | 92 | 0.00 | 0 | 6.25 | 1.43 | 1 | 16 | 2.21 | 0 | 6 | 0 | 4 | 0 | 80.00 |
6941 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.02 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 78 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.68 | 1 | 1 | 0 | 0 | 0 | 100.00 |
6947 | exec - atom.cpp:2408-2408 | LAMMPS_NS::Atom::sort() | Single | 0.03 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 69 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2.41 | 1 | 1 | 0 | 0 | 0 | 100.00 |
4230 | exec - verlet.cpp:246-380 [...] | LAMMPS_NS::Verlet::run(int) | Single | 0.03 | 0.00 | 0.00 | 0.03 | 0.03 | 0.00 | 0.00 | 51 | 5.23 | 1.72 | 7.76 | 4 | 1 | 15.75 | 2.78 | NA | NA | NA | NA | NA | 0.00 |
14106 | exec - random_park.cpp:108-111 | LAMMPS_NS::RanPark::reset(int, double*) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 107 | 90.46 | 0 | 5.66 | 1 | 1 | 21.92 | 2.43 | 0 | 1 | 0 | 0 | 0 | 100.00 |
9201 | exec - create_atoms.cpp:1470-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | Innermost | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 186 | 516.61 | 1.82 | 10.11 | 2.28 | 1.78 | 12.21 | 8.46 | NA | NA | NA | NA | NA | 0.00 |
7372 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 21 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
7374 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 20 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.9 | 0 | 1 | 0 | 0 | 0 | 100.00 |
12238 | 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 | 90 | 178.13 | 0 | 12.5 | 1.11 | 1.25 | 8 | 4.29 | NA | NA | NA | NA | NA | 0.00 |
7784 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 15 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.88 | NA | NA | NA | NA | NA | 0.00 |
7809 | 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 | 15 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 2.33 | 0 | 0 | 1.67 | 0 | 79.17 |
4216 | 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 | 43 | 109.61 | 0 | 12.5 | 1.28 | 1.28 | 8 | 3.07 | NA | NA | NA | NA | NA | 0.00 |
4217 | 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 | 56 | 157.57 | 0 | 12.17 | 1.19 | 1.16 | 8.8 | 4 | NA | NA | NA | NA | NA | 0.00 |
7785 | 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 | 13 | 14.39 | 0 | 7.29 | 1 | 1 | 16 | 1.3 | NA | NA | NA | NA | NA | 0.00 |
1626 | exec - modify.cpp:401-402 | LAMMPS_NS::Modify::initial_integrate(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 10 | 10.66 | NA | NA | 1 | NA | NA | 2.22 | 1 | 1 | 0 | 1 | 1 | 62.50 |
1886 | 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 | 9 | 0.00 | 0 | 11.72 | 1 | 1 | 12.71 | 1 | 0 | 0 | 2 | 0 | 1 | 50.00 |
7793 | 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 | 15 | 31.97 | 0 | 8.93 | 1 | 1 | 15.44 | 1.67 | NA | NA | NA | NA | NA | 0.00 |
12226 | 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 | 25 | 101.90 | 0 | 10 | 1.25 | 1.21 | 10 | 3.13 | NA | NA | NA | NA | NA | 0.00 |
4222 | exec - velocity.cpp:332-350 | LAMMPS_NS::Velocity::create(double, int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 15 | 41.97 | 10.17 | 12.71 | 1 | 4.02 | 8 | 1.88 | NA | NA | NA | NA | NA | 0.00 |
7836 | exec - comm_brick.cpp:798-968 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.02 | 0.00 | 0.22 | 0.02 | 0.31 | 0.00 | 0.20 | 6 | 0.00 | 0.42 | 9.5 | 4.12 | 1 | 13.47 | 1.71 | NA | NA | NA | NA | NA | 0.00 |
1879 | 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 | 6 | 0.00 | 0 | 7.32 | 1 | 1 | 15.16 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
7794 | 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 | 6 | 0.00 | 0 | 8.33 | 1 | 1 | 16 | 1 | NA | NA | NA | NA | NA | 0.00 |
7376 | exec - memory.h:190-191 | LAMMPS_NS::AtomVec::grow(int) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 6 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
12224 | exec - group.cpp:822-823 | LAMMPS_NS::Group::count(int) | Single | 0.02 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 4 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.6 | 0 | 1 | 0 | 0 | 0 | 100.00 |
1880 | 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 | 4 | 0.00 | NA | NA | 1 | NA | NA | 1 | 1 | 0 | 0 | 2 | 0 | 66.67 |
1632 | 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 | 3 | 0.00 | NA | NA | 1 | NA | NA | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
6912 | 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 | 3 | 0.00 | 33.33 | 12.5 | 1 | 1 | 8.47 | 1 | 1 | 0 | 2 | 0 | 0 | 83.33 |
6909 | exec - atom.cpp:912-914 | LAMMPS_NS::Atom::tag_check() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 33.33 | 12.5 | 1 | 1 | 8 | 1 | 1 | 1 | 1 | 0 | 0 | 91.67 |
9200 | exec - create_atoms.cpp:1469-1539 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.02 | 0.00 | 0.00 | 30 | 719.33 | 8.33 | 10.42 | 2.2 | 1 | 11.73 | 15 | NA | NA | NA | NA | NA | 0.00 |
6910 | 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 | 2 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 0 | 0 | 100.00 |
1630 | 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 |
7808 | exec - comm_brick.cpp:698-762 [...] | LAMMPS_NS::CommBrick::exchange() | Outermost | 0.01 | 0.00 | 0.10 | 0.01 | 0.12 | 0.00 | 0.09 | 2 | 0.00 | 0 | 9.29 | 8.25 | 1 | 14.86 | 1 | NA | NA | NA | NA | NA | 0.00 |
1740 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 2 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | NA | NA | NA | NA | NA | 0.00 |
1921 | exec - memory.h:155-156 | LAMMPS_NS::Neighbor::init() | Innermost | 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 | 1 | 0 | 0 | 0 | 100.00 |
9050 | exec - compute_temp.cpp:90-98 [...] | LAMMPS_NS::ComputeTemp::compute_scalar() | Outermost | 0.01 | 0.00 | 0.02 | 0.01 | 0.02 | 0.00 | 0.02 | 1 | 0.00 | 2.63 | 12.01 | 2.12 | 2.33 | 12.18 | 1 | NA | NA | NA | NA | NA | 0.00 |
22827 | exec - npair_intel.cpp:256-259 | 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 | 1 | 0 | 0 | 87.50 |
9552 | exec - char_traits.h:350-427 [...] | LAMMPS_NS::Domain::add_region(int, char**) | Outermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 10.3 | 1 | 1 | 28.18 | 1 | NA | NA | NA | NA | NA | 0.00 |
1309 | exec - stl_tree.h:778-1932 [...] | 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 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.05 | 1 | 1 | 9.74 | 1 | 0 | 0 | 0 | 2 | 0 | 50.00 |
6915 | 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 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 0 | 0 | 16 | 0 | 52.94 |
1629 | 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 | 1 | 0.00 | NA | NA | 1 | NA | NA | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
24879 | exec - pair_eam_intel.cpp:733-758 | void LAMMPS_NS::PairEAMIntel::pack_force_const<float, double>(LAMMPS_NS::PairEAMIntel::ForceConst<float>&, LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 2.56 | 9.38 | 1.48 | 1 | 11.88 | 1 | NA | NA | NA | NA | NA | 0.00 |