Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime icx_2 (%) | Exclusive Coverage icx_2 (%) | Inclusive Coverage icx_2 (%) | Max Exclusive Time Over Threads icx_2 (s) | Max Inclusive Time Over Threads icx_2 (s) | Exclusive Time w.r.t. Wall Time icx_2 (s) | Inclusive Time w.r.t. Wall Time icx_2 (s) | Nb Threads icx_2 | GFLOPS icx_2 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing icx_2 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency |
---|
31991 | 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 | 11.21 | 15.56 | 34.72 | 5.72 | 12.94 | 5.43 | 12.12 | 256 | 2285.00 | 86.43 | 64.13 | 1.15 | 1.01 | 1.06 | 1.08 | NA | NA | NA | NA | NA | 0.00 |
31993 | 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 | 7.55 | 10.32 | 10.32 | 3.85 | 3.85 | 3.60 | 3.60 | 256 | 2404.00 | 100 | 82.64 | 1.02 | 1 | 1.02 | 1.09 | 1 | 5 | 0 | 0 | 4 | 60.00 |
31992 | 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 | 7.02 | 8.84 | 8.84 | 3.58 | 3.58 | 3.09 | 3.09 | 256 | 1769.12 | 100 | 89.29 | 1 | 1 | 1 | 1.19 | 0 | 1 | 0 | 0 | 6 | 14.29 |
32001 | 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 | 5.96 | 8.08 | 21.07 | 3.04 | 7.49 | 2.82 | 7.36 | 256 | 2080.10 | 77.11 | 59.71 | 1.14 | 1 | 1.15 | 1.1 | NA | NA | NA | NA | NA | 0.00 |
32002 | 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 | 6.07 | 7.91 | 7.91 | 3.09 | 3.09 | 2.76 | 2.76 | 256 | 1518.21 | 100 | 87.5 | 1 | 1 | 1 | 1.15 | 0 | 1 | 0 | 0 | 3 | 25.00 |
32003 | 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 | 3.90 | 5.08 | 5.08 | 1.99 | 1.99 | 1.77 | 1.77 | 256 | 1260.77 | 100 | 81.25 | 1.1 | 1 | 1.05 | 1.15 | 0 | 2 | 0 | 0 | 2 | 50.00 |
6508 | exec - fix_nve_intel.cpp:79-81 | LAMMPS_NS::FixNVEIntel::initial_integrate(int) | Single | 3.51 | 4.57 | 4.57 | 1.79 | 1.79 | 1.60 | 1.60 | 256 | 156.61 | 90.91 | 92.05 | 1 | 1 | 1.06 | 1.14 | 1 | 3 | 0 | 0 | 0 | 100.00 |
6310 | 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 | 3.24 | 4.00 | 4.00 | 1.65 | 1.65 | 1.40 | 1.40 | 256 | 50.16 | 97.06 | 90.81 | 1 | 1 | 1.05 | 1.21 | 0 | 1 | 0 | 0 | 1 | 50.00 |
31965 | 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 | 2.75 | 3.58 | 3.58 | 1.40 | 1.40 | 1.25 | 1.25 | 256 | 0.00 | 100 | 84.72 | 1 | 1 | 1 | 1.15 | 0 | 2 | 0 | 0 | 2 | 50.00 |
6511 | exec - fix_nve_intel.cpp:135-135 | LAMMPS_NS::FixNVEIntel::final_integrate() | Single | 2.20 | 2.51 | 2.51 | 1.12 | 1.12 | 0.88 | 0.88 | 256 | 171.56 | 100 | 100 | 1 | 1 | 1 | 1.3 | 0 | 2 | 0 | 0 | 0 | 100.00 |
28365 | 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 | 1.86 | 2.28 | 6.24 | 0.95 | 2.27 | 0.80 | 2.18 | 256 | 1716.69 | 52.79 | 47.98 | 1.11 | 1 | 1.13 | 1.22 | NA | NA | NA | NA | NA | 0.00 |
28379 | 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 | 1.38 | 1.62 | 1.62 | 0.71 | 0.71 | 0.57 | 0.57 | 256 | 0.00 | 100 | 78.57 | 1 | 1 | 1 | 1.27 | 0 | 5 | 0 | 0 | 1 | 83.33 |
28374 | 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 | 1.26 | 1.34 | 1.34 | 0.65 | 0.65 | 0.47 | 0.47 | 256 | 4706.85 | 100 | 76.32 | 1.15 | 1 | 1.21 | 1.41 | 0 | 5 | 0 | 0 | 2 | 71.43 |
7359 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.98 | 0.95 | 0.95 | 0.50 | 0.50 | 0.33 | 0.33 | 256 | 59.13 | 0 | 12.5 | 1.14 | 1.28 | 8 | 1.54 | 0 | 2 | 0 | 2 | 1 | 60.00 |
816 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.85 | 0.92 | 0.92 | 0.44 | 0.44 | 0.32 | 0.32 | 256 | 123.14 | 44.44 | 18.06 | 1 | 1.76 | 5.71 | 1.38 | 0 | 2 | 0 | 2 | 0 | 75.00 |
28380 | 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 | 0.80 | 0.81 | 0.87 | 0.41 | 0.46 | 0.28 | 0.31 | 256 | 7.88 | 17.14 | 24.94 | 1.86 | 1 | 1.86 | 1.49 | NA | NA | NA | NA | NA | 25.00 |
7276 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.87 | 0.80 | 0.80 | 0.44 | 0.44 | 0.28 | 0.28 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.62 | 0 | 2 | 0 | 2 | 1 | 60.00 |
8123 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.73 | 0.76 | 0.76 | 0.37 | 0.37 | 0.26 | 0.26 | 256 | 0.00 | 0 | 10.94 | 1.3 | 1 | 11.27 | 1.43 | 1.5 | 1 | 0 | 1.75 | 0.75 | 72.02 |
31994 | 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 | 0.44 | 0.46 | 0.46 | 0.22 | 0.22 | 0.16 | 0.16 | 256 | 815.03 | 100 | 83.62 | 1 | 1 | 1 | 1.42 | 0 | 0 | 0 | 0 | 4 | 0.00 |
31969 | 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 | 0.42 | 0.42 | 0.96 | 0.22 | 0.35 | 0.15 | 0.34 | 256 | 2746.54 | 86.72 | 61.14 | 1.16 | 1 | 1.14 | 1.51 | NA | NA | NA | NA | NA | 0.00 |
6483 | exec - intel_buffers.h:210-214 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.36 | 0.39 | 0.39 | 0.19 | 0.19 | 0.14 | 0.14 | 256 | 0.00 | 100 | 54.31 | 1 | 1 | 1.3 | 1.37 | 0 | 3 | 0 | 0 | 2 | 60.00 |
825 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.31 | 0.32 | 0.32 | 0.16 | 0.16 | 0.11 | 0.11 | 256 | 0.00 | 0 | 12.5 | 1.11 | 1 | 8 | 1.47 | 0 | 2 | 0 | 8 | 0 | 60.00 |
31971 | 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 | 0.33 | 0.29 | 0.29 | 0.17 | 0.17 | 0.10 | 0.10 | 256 | 2400.59 | 99.14 | 80.67 | 1.11 | 1 | 1.07 | 1.72 | 2 | 5 | 0 | 0 | 4 | 63.64 |
31970 | 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 | 0.27 | 0.26 | 0.26 | 0.14 | 0.14 | 0.09 | 0.09 | 256 | 1676.04 | 100 | 89.29 | 1 | 1 | 1 | 1.59 | 0 | 1 | 0 | 0 | 6 | 14.29 |
8119 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.24 | 0.25 | 0.25 | 0.13 | 0.13 | 0.09 | 0.09 | 256 | 0.00 | 0 | 9.17 | 2.1 | 1 | 14.44 | 1.45 | NA | NA | NA | NA | NA | 0.00 |
31980 | 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 | 0.27 | 0.23 | 0.60 | 0.14 | 0.22 | 0.08 | 0.21 | 256 | 2019.65 | 78.05 | 60.29 | 1.14 | 1 | 1.14 | 1.76 | NA | NA | NA | NA | NA | 0.00 |
31981 | 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 | 0.24 | 0.22 | 0.22 | 0.13 | 0.13 | 0.08 | 0.08 | 256 | 1522.53 | 100 | 87.5 | 1 | 1 | 1 | 1.65 | 0 | 1 | 0 | 0 | 3 | 25.00 |
5454 | exec - domain_omp.cpp:56-57 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted.19] | Single | 0.23 | 0.19 | 0.19 | 0.12 | 0.12 | 0.07 | 0.07 | 256 | 0.00 | 66.67 | 68.75 | 1.5 | 1 | 1 | 1.74 | 0 | 1 | 0 | 0 | 0 | 100.00 |
6475 | exec - nbin_intel.cpp:220-225 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Single | 0.19 | 0.16 | 0.16 | 0.10 | 0.10 | 0.06 | 0.06 | 256 | 209.78 | 0 | 8.33 | 1 | 1 | 14.48 | 1.69 | 2 | 0 | 0 | 5 | 1 | 56.25 |
21587 | exec - pair_eam.cpp:976-978 | LAMMPS_NS::PairEAM::unpack_reverse_comm(int, int*, double*) | Single | 0.19 | 0.15 | 0.15 | 0.10 | 0.10 | 0.05 | 0.05 | 256 | 124.96 | 0 | 12.5 | 1 | 1.41 | 8 | 1.89 | 0 | 2 | 0 | 0 | 1 | 66.67 |
31982 | 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 | 0.18 | 0.14 | 0.14 | 0.09 | 0.09 | 0.05 | 0.05 | 256 | 1251.96 | 100 | 81.25 | 1.1 | 1 | 1.05 | 1.82 | 0 | 2 | 0 | 0 | 2 | 50.00 |
7277 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.44 | 0.14 | 0.14 | 0.23 | 0.23 | 0.05 | 0.05 | 184 | 53.31 | 0 | 12.5 | 1.11 | 1.11 | 8 | 3.4 | 0 | 2 | 0 | 2 | 1 | 60.00 |
6986 | exec - atom.cpp:2414-2426 | LAMMPS_NS::Atom::sort() | Single | 0.21 | 0.13 | 0.13 | 0.11 | 0.11 | 0.05 | 0.05 | 256 | 368.86 | 0 | 8.84 | 1.7 | 2 | 12.8 | 2.28 | 1 | 0 | 0 | 4 | 0 | 60.00 |
7412 | exec - atom_vec.cpp:1035-1041 [...] | LAMMPS_NS::AtomVec::unpack_border(int, int, double*) | Single | 0.17 | 0.12 | 0.12 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.00 | 0 | 10.42 | 2 | 1 | 10.67 | 1.99 | 0 | 4 | 1 | 1 | 0 | 87.50 |
5452 | exec - domain_omp.cpp:71-153 | LAMMPS_NS::DomainOMP::pbc() [clone .extracted] | Single | 0.16 | 0.11 | 0.11 | 0.08 | 0.08 | 0.04 | 0.04 | 256 | 0.21 | 13.64 | 11.93 | 1.35 | 1.61 | 10.29 | 2.13 | NA | NA | NA | NA | NA | 0.00 |
7376 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.16 | 0.10 | 0.10 | 0.08 | 0.08 | 0.03 | 0.03 | 256 | 0.00 | 0 | 12.5 | 1.29 | 1 | 8 | 2.41 | 0 | 1 | 0 | 2 | 4 | 28.57 |
6474 | exec - nbin_intel.cpp:232-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Innermost | 0.14 | 0.09 | 0.09 | 0.07 | 0.07 | 0.03 | 0.03 | 256 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 2.3 | 0 | 1 | 0 | 0 | 1 | 50.00 |
6391 | 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 | 0.12 | 0.09 | 0.09 | 0.06 | 0.06 | 0.03 | 0.03 | 256 | 296.66 | 10.34 | 18.1 | 1 | 1.08 | 3.71 | 2.03 | 3 | 2 | 0 | 0 | 0 | 100.00 |
28381 | 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 | 0.11 | 0.07 | 0.07 | 0.06 | 0.06 | 0.02 | 0.02 | 256 | 4.27 | 100 | 100 | 1 | 1 | 1 | 2.3 | 0 | 1 | 0 | 0 | 1 | 50.00 |
6473 | exec - nbin_intel.cpp:229-233 | void LAMMPS_NS::NBinIntel::bin_atoms<float, double>(LAMMPS_NS::IntelBuffers<float, double>*) | Outermost | 0.12 | 0.07 | 0.16 | 0.06 | 0.10 | 0.02 | 0.06 | 254 | 0.00 | 0 | 7.5 | 1 | 1 | 15.36 | 2.5 | NA | NA | NA | NA | NA | 0.00 |
28366 | 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 | 0.14 | 0.07 | 0.07 | 0.07 | 0.07 | 0.02 | 0.02 | 256 | 1769.90 | 0 | 6.25 | 1 | 1 | 16 | 3.08 | 0 | 1 | 0 | 0 | 0 | 100.00 |
31957 | exec - pair_eam_intel.cpp:830-832 | LAMMPS_NS::PairEAMIntel::pack_forward_comm(int, int*, double*, int, int*) | Single | 0.12 | 0.06 | 0.06 | 0.06 | 0.06 | 0.02 | 0.02 | 254 | 0.00 | 100 | 55 | 1 | 1 | 1.5 | 2.8 | 0 | 2 | 0 | 0 | 1 | 66.67 |
6981 | exec - atom.cpp:2462-2464 | LAMMPS_NS::Atom::sort() | Innermost | 0.11 | 0.06 | 0.06 | 0.05 | 0.05 | 0.02 | 0.02 | 253 | 0.00 | 0 | 7.03 | 1 | 1 | 15.38 | 2.74 | 1 | 0 | 0 | 4 | 3 | 37.50 |
6985 | exec - atom.cpp:2439-2440 | LAMMPS_NS::Atom::sort() | Innermost | 0.12 | 0.05 | 0.05 | 0.06 | 0.06 | 0.02 | 0.02 | 247 | 0.00 | 0 | 9.17 | 1 | 1 | 13.27 | 3.12 | 0 | 1 | 0 | 0 | 1 | 50.00 |
9809 | exec - compute_temp.cpp:90-92 | LAMMPS_NS::ComputeTemp::compute_scalar() | Single | 0.08 | 0.05 | 0.05 | 0.04 | 0.04 | 0.02 | 0.02 | 255 | 199.10 | 100 | 75.69 | 1.01 | 1 | 1.01 | 2.44 | 0 | 2 | 0 | 0 | 2 | 71.43 |
31960 | exec - pair_eam_intel.cpp:847-847 | LAMMPS_NS::PairEAMIntel::unpack_forward_comm(int, int, double*) | Single | 0.08 | 0.05 | 0.05 | 0.04 | 0.04 | 0.02 | 0.02 | 242 | 0.00 | 100 | 75 | 1 | 1 | 1 | 2.45 | 0 | 2 | 0 | 0 | 0 | 100.00 |
6984 | exec - atom.cpp:2437-2440 | LAMMPS_NS::Atom::sort() | Outermost | 0.08 | 0.04 | 0.10 | 0.04 | 0.07 | 0.01 | 0.03 | 246 | 0.00 | 0 | 7.5 | 1 | 1 | 15.36 | 2.67 | NA | NA | NA | NA | NA | 0.00 |
28376 | 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 .extracted] | Innermost | 0.09 | 0.04 | 0.04 | 0.05 | 0.05 | 0.01 | 0.01 | 231 | 0.00 | 0 | 6.25 | 1.78 | 1 | 16 | 2.98 | 1 | 5 | 0 | 0 | 1 | 85.71 |
6980 | exec - atom.cpp:2458-2467 | LAMMPS_NS::Atom::sort() | Outermost | 0.06 | 0.03 | 0.08 | 0.03 | 0.08 | 0.01 | 0.03 | 218 | 0.00 | 6.82 | 9.52 | 1 | 1 | 13.47 | 2.77 | NA | NA | NA | NA | NA | 65.00 |
31972 | 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 | 0.06 | 0.02 | 0.02 | 0.03 | 0.03 | 0.01 | 0.01 | 256 | 1239.33 | 100 | 79.76 | 1.07 | 1 | 1.07 | 4.39 | 0 | 0 | 0 | 0 | 5 | 0.00 |
7377 | exec - atom_vec.cpp:823-830 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.07 | 0.02 | 0.02 | 0.04 | 0.04 | 0.01 | 0.01 | 180 | 86.27 | 0 | 12.5 | 1.29 | 1 | 8 | 4.21 | 0 | 1 | 0 | 2 | 4 | 28.57 |
28378 | 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 | 0.05 | 0.01 | 0.01 | 0.03 | 0.03 | 0.00 | 0.00 | 148 | 0.00 | 0 | 6.25 | 1.44 | 1 | 16 | 3.08 | 1 | 5 | 0 | 0 | 0 | 100.00 |
3566 | 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 | 153 | 8.32 | 0 | 7.14 | 3.21 | 1 | 15.65 | 2.6 | NA | NA | NA | NA | NA | 0.00 |
28367 | 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 | 0.03 | 0.01 | 0.01 | 0.02 | 0.02 | 0.00 | 0.00 | 255 | 5243.59 | 100 | 50 | 1 | 1 | 2 | 6.27 | 0 | 1 | 0 | 0 | 0 | 100.00 |
10143 | exec - create_atoms.cpp:1470-1616 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 256 | 1050.74 | 6.45 | 10.99 | 1.56 | 1.82 | 12.64 | 7.11 | NA | NA | NA | NA | NA | 0.00 |
6982 | exec - atom.cpp:2449-2449 | LAMMPS_NS::Atom::sort() | Single | 0.04 | 0.00 | 0.00 | 0.02 | 0.02 | 0.00 | 0.00 | 60 | 0.00 | 66.67 | 35.42 | 1 | 1 | 4 | 3.38 | 0 | 1 | 0 | 0 | 0 | 100.00 |
3219 | 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 | 67 | 0.00 | 92.31 | 74.04 | 1.14 | 1 | 1.07 | 1 | 0 | 2 | 0 | 0 | 2 | 50.00 |
4005 | exec - memory.h:190-191 | double** LAMMPS_NS::Memory::grow<double>(double**&, int, int, char const*) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 48 | 0.00 | 83.33 | 85.42 | 1 | 1 | 1.12 | 1.81 | 0 | 1 | 0 | 0 | 0 | 100.00 |
8118 | 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 | 39 | 0.00 | 0 | 12.5 | 1.2 | 1 | 8 | 1.86 | 2 | 0 | 0 | 0.67 | 1 | 62.50 |
8115 | exec - comm_brick.cpp:552-589 | LAMMPS_NS::CommBrick::forward_comm(int) | Single | 0.02 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 40 | 0.00 | 0 | 6.82 | 1 | 1 | 16 | 1.9 | NA | NA | NA | NA | NA | 0.00 |
3558 | 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 | 256 | 178.26 | 0 | 11.36 | 1.25 | 1.22 | 10.01 | 7.11 | 0.75 | 1.25 | 0.5 | 1 | 0 | 85.63 |
959 | 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 | 30 | 0.00 | 100 | 71.88 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 1 | 50.00 |
8122 | exec - comm_brick.cpp:798-961 [...] | LAMMPS_NS::CommBrick::borders() | InBetween | 0.02 | 0.00 | 0.76 | 0.01 | 0.31 | 0.00 | 0.27 | 26 | 0.00 | 1.2 | 8.43 | 3.46 | 1 | 14.66 | 1.86 | NA | NA | NA | NA | NA | 0.00 |
3489 | 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 | 256 | 527.46 | 0 | 12.13 | 1 | 1.62 | 3.85 | 10.67 | 2.33 | 3 | 0 | 0.67 | 0.67 | 88.89 |
3563 | 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 | 23 | 0.00 | 40 | 16.56 | 1.2 | 1.5 | 7.38 | 1 | NA | NA | NA | NA | NA | 0.00 |
14160 | 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 | 22 | 0.00 | 100 | 73.12 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 2 | 71.43 |
8116 | 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 | 24 | 2.28 | 0 | 8.21 | 1 | 1 | 15.02 | 1.09 | NA | NA | NA | NA | NA | 0.00 |
609 | 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 | 21 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
610 | 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 | 17 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
8133 | 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 | 9.12 | 0 | 8.85 | 1 | 1 | 14.81 | 1.36 | NA | NA | NA | NA | NA | 0.00 |
7011 | 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 | 9 | 0.00 | 0 | 8.44 | 1 | 1 | 14.15 | 1 | 0.5 | 1 | 0 | 0 | 0 | 100.00 |
14138 | 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 | 7 | 0.00 | 66.67 | 67.71 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
14142 | 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 | 7 | 0.00 | 100 | 73.08 | 1.11 | 1 | 1.25 | 1 | 0 | 2 | 0 | 0 | 1 | 66.67 |
612 | 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 | 7 | 33.42 | NA | NA | 1 | NA | NA | 1.17 | 1 | 1 | 0 | 1 | 1 | 62.50 |
603 | 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 | 33.42 | 0 | 6.25 | 1 | 1 | 16 | 1.17 | 1 | 1 | 0 | 1 | 1 | 62.50 |
7015 | 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 | 6 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
821 | 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 | 5 | 0.00 | 50 | 15.63 | 1 | 1 | 13.18 | 1 | 1 | 2 | 0 | 2 | 0 | 80.00 |
826 | 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 | 5 | 0.00 | 66.67 | 70.83 | 1 | 1 | 1.23 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
14424 | exec - integrate.cpp:110-111 [...] | LAMMPS_NS::Integrate::ev_set(long) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 0 | 9.38 | 1 | 1 | 14.22 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
820 | exec - neighbor.cpp:2522-2527 | LAMMPS_NS::Neighbor::build(int) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 4 | 0.00 | 26.73 | 12.25 | 1 | 1 | 13.18 | 1 | 1 | 1 | 0 | 2 | 4 | 37.50 |
481 | exec - modify.cpp:285-286 | LAMMPS_NS::Modify::init() | Innermost | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 4 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | 100.00 |
10142 | 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 | 47 | 409.43 | 14.29 | 10.71 | 1.67 | 1 | 11.79 | 15.67 | NA | NA | NA | NA | NA | 0.00 |
785 | 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 | 66.67 | 70.83 | 1 | 1 | 1.23 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
31964 | 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 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 3 | 0.00 | 40 | 13.75 | 1 | 1 | 5.33 | 1 | 0 | 1 | 1 | 1 | 0 | 75.00 |
8132 | 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 | 3 | 0.00 | 0 | 8.04 | 1 | 1 | 15.26 | 1 | NA | NA | NA | NA | NA | 0.00 |
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 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 2 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | NA | NA | NA | NA | NA | 0.00 |
6309 | 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 | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 3 | 100.27 | 50 | 18.75 | 1.13 | 1.13 | 6 | 1.5 | 0 | 1 | 1 | 0 | 0 | 87.50 |
8121 | exec - comm_brick.cpp:795-961 [...] | LAMMPS_NS::CommBrick::borders() | Outermost | 0.01 | 0.00 | 0.76 | 0.01 | 0.23 | 0.00 | 0.27 | 2 | 0.00 | 0 | 7.5 | 1 | 1 | 14.22 | 1 | NA | NA | NA | NA | NA | 0.00 |
7097 | 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 | 11.81 | 1 | 1 | 12.5 | 1 | 1 | 0 | 0 | 16 | 0 | 52.94 |
7013 | 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 | 66.67 | 67.19 | 1.2 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
21641 | exec - pair_eam.cpp:850-850 | LAMMPS_NS::PairEAM::interpolate(int, double, double*, double**) | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1.33 | 1 | 8 | 1 | 0 | 2 | 0 | 8 | 0 | 60.00 |
33594 | exec - | __libirc_init_cache_tbl() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
483 | exec - modify.cpp:263-264 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 8.46 | 1 | 1 | 15.76 | 1 | 0.75 | 1 | 0 | 3 | 1 | 58.33 |
33516 | exec - | __libirc_libc_getenv_from_proc | Innermost | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 1 | 0 | 50.00 |
540 | exec - modify.cpp:1755-1756 | LAMMPS_NS::Modify::init() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 9.79 | 1 | 1 | 12.8 | 1 | 0.33 | 1 | 0 | 1 | 0.33 | 70.83 |
3041 | exec - utils.cpp:2536-2538 | 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 | 7.81 | 1 | 1 | 16 | 1 | 1 | 1 | 0 | 2 | 0 | 75.00 |
7009 | exec - atom.cpp:912-914 | LAMMPS_NS::Atom::tag_check() | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
14422 | exec - integrate.cpp:126-127 [...] | 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 | 9.38 | 1 | 1 | 14.22 | 1 | 0 | 1 | 0 | 0 | 0 | 100.00 |
3229 | exec - variable.cpp:905-2602 [...] | LAMMPS_NS::Variable::evaluate(char*, LAMMPS_NS::Variable::Tree**, int) | InBetween | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 10.83 | 11.79 | 2.89 | 1 | 6.15 | 1 | NA | NA | NA | NA | NA | 0.00 |
7610 | exec - atom_vec.cpp:2521-2524 [...] | LAMMPS_NS::AtomVec::setup_fields() | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 15.48 | 11.09 | 1 | 1 | 13.59 | 1 | 1 | 2 | 0 | 1.5 | 0 | 83.75 |
81 | exec - stl_tree.h:1270-1905 [...] | std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, LAMMPS_NS::Command* (*)(LAMMPS_NS::LAMMPS*), std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<cha... | Single | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.52 | 1 | 1 | 12.8 | 1 | NA | NA | NA | NA | NA | 0.00 |
728 | exec - modify.cpp:1449-1451 | LAMMPS_NS::Modify::addstep_compute(long) | Single | 0.01 | 0.00 | 0.00 | 0.01 | 0.01 | 0.00 | 0.00 | 1 | 0.00 | 0 | 11.46 | 1 | 1 | 11.09 | 1 | 1 | 1 | 0 | 1 | 1 | 62.50 |
207 | exec - stl_tree.h:1270-1905 [...] | 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 | 1 | 0.00 | 0 | 11.52 | 1 | 1 | 12.8 | 1 | NA | NA | NA | NA | NA | 0.00 |