Loop id | Source Location | Source Function | Level | Max Thread Time / Walltime 1x1 (%) | Max Thread Time / Walltime 8x1 (%) | Max Thread Time / Walltime 16x1 (%) | Max Thread Time / Walltime 24x1 (%) | Max Thread Time / Walltime 32x1 (%) | Max Thread Time / Walltime 40x1 (%) | Max Thread Time / Walltime 48x1 (%) | Max Thread Time / Walltime 56x1 (%) | Max Thread Time / Walltime 64x1 (%) | Max Thread Time / Walltime 72x1 (%) | Max Thread Time / Walltime 80x1 (%) | Max Thread Time / Walltime 88x1 (%) | Max Thread Time / Walltime 96x1 (%) | Exclusive Coverage 1x1 (%) | Exclusive Coverage 8x1 (%) | Exclusive Coverage 16x1 (%) | Exclusive Coverage 24x1 (%) | Exclusive Coverage 32x1 (%) | Exclusive Coverage 40x1 (%) | Exclusive Coverage 48x1 (%) | Exclusive Coverage 56x1 (%) | Exclusive Coverage 64x1 (%) | Exclusive Coverage 72x1 (%) | Exclusive Coverage 80x1 (%) | Exclusive Coverage 88x1 (%) | Exclusive Coverage 96x1 (%) | Inclusive Coverage 1x1 (%) | Inclusive Coverage 8x1 (%) | Inclusive Coverage 16x1 (%) | Inclusive Coverage 24x1 (%) | Inclusive Coverage 32x1 (%) | Inclusive Coverage 40x1 (%) | Inclusive Coverage 48x1 (%) | Inclusive Coverage 56x1 (%) | Inclusive Coverage 64x1 (%) | Inclusive Coverage 72x1 (%) | Inclusive Coverage 80x1 (%) | Inclusive Coverage 88x1 (%) | Inclusive Coverage 96x1 (%) | Max Exclusive Time Over Threads 1x1 (s) | Max Exclusive Time Over Threads 8x1 (s) | Max Exclusive Time Over Threads 16x1 (s) | Max Exclusive Time Over Threads 24x1 (s) | Max Exclusive Time Over Threads 32x1 (s) | Max Exclusive Time Over Threads 40x1 (s) | Max Exclusive Time Over Threads 48x1 (s) | Max Exclusive Time Over Threads 56x1 (s) | Max Exclusive Time Over Threads 64x1 (s) | Max Exclusive Time Over Threads 72x1 (s) | Max Exclusive Time Over Threads 80x1 (s) | Max Exclusive Time Over Threads 88x1 (s) | Max Exclusive Time Over Threads 96x1 (s) | Max Inclusive Time Over Threads 1x1 (s) | Max Inclusive Time Over Threads 8x1 (s) | Max Inclusive Time Over Threads 16x1 (s) | Max Inclusive Time Over Threads 24x1 (s) | Max Inclusive Time Over Threads 32x1 (s) | Max Inclusive Time Over Threads 40x1 (s) | Max Inclusive Time Over Threads 48x1 (s) | Max Inclusive Time Over Threads 56x1 (s) | Max Inclusive Time Over Threads 64x1 (s) | Max Inclusive Time Over Threads 72x1 (s) | Max Inclusive Time Over Threads 80x1 (s) | Max Inclusive Time Over Threads 88x1 (s) | Max Inclusive Time Over Threads 96x1 (s) | Exclusive Time w.r.t. Wall Time 1x1 (s) | Exclusive Time w.r.t. Wall Time 8x1 (s) | Exclusive Time w.r.t. Wall Time 16x1 (s) | Exclusive Time w.r.t. Wall Time 24x1 (s) | Exclusive Time w.r.t. Wall Time 32x1 (s) | Exclusive Time w.r.t. Wall Time 40x1 (s) | Exclusive Time w.r.t. Wall Time 48x1 (s) | Exclusive Time w.r.t. Wall Time 56x1 (s) | Exclusive Time w.r.t. Wall Time 64x1 (s) | Exclusive Time w.r.t. Wall Time 72x1 (s) | Exclusive Time w.r.t. Wall Time 80x1 (s) | Exclusive Time w.r.t. Wall Time 88x1 (s) | Exclusive Time w.r.t. Wall Time 96x1 (s) | Inclusive Time w.r.t. Wall Time 1x1 (s) | Inclusive Time w.r.t. Wall Time 8x1 (s) | Inclusive Time w.r.t. Wall Time 16x1 (s) | Inclusive Time w.r.t. Wall Time 24x1 (s) | Inclusive Time w.r.t. Wall Time 32x1 (s) | Inclusive Time w.r.t. Wall Time 40x1 (s) | Inclusive Time w.r.t. Wall Time 48x1 (s) | Inclusive Time w.r.t. Wall Time 56x1 (s) | Inclusive Time w.r.t. Wall Time 64x1 (s) | Inclusive Time w.r.t. Wall Time 72x1 (s) | Inclusive Time w.r.t. Wall Time 80x1 (s) | Inclusive Time w.r.t. Wall Time 88x1 (s) | Inclusive Time w.r.t. Wall Time 96x1 (s) | Nb Threads 1x1 | Nb Threads 8x1 | Nb Threads 16x1 | Nb Threads 24x1 | Nb Threads 32x1 | Nb Threads 40x1 | Nb Threads 48x1 | Nb Threads 56x1 | Nb Threads 64x1 | Nb Threads 72x1 | Nb Threads 80x1 | Nb Threads 88x1 | Nb Threads 96x1 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing 1x1 | Speedup If Perfect Load Balancing 8x1 | Speedup If Perfect Load Balancing 16x1 | Speedup If Perfect Load Balancing 24x1 | Speedup If Perfect Load Balancing 32x1 | Speedup If Perfect Load Balancing 40x1 | Speedup If Perfect Load Balancing 48x1 | Speedup If Perfect Load Balancing 56x1 | Speedup If Perfect Load Balancing 64x1 | Speedup If Perfect Load Balancing 72x1 | Speedup If Perfect Load Balancing 80x1 | Speedup If Perfect Load Balancing 88x1 | Speedup If Perfect Load Balancing 96x1 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect | Array Access Efficiency | (1x1) Efficiency | (1x1) Potential Speed-Up (%) | (8x1) Efficiency | (8x1) Potential Speed-Up (%) | (16x1) Efficiency | (16x1) Potential Speed-Up (%) | (24x1) Efficiency | (24x1) Potential Speed-Up (%) | (32x1) Efficiency | (32x1) Potential Speed-Up (%) | (40x1) Efficiency | (40x1) Potential Speed-Up (%) | (48x1) Efficiency | (48x1) Potential Speed-Up (%) | (56x1) Efficiency | (56x1) Potential Speed-Up (%) | (64x1) Efficiency | (64x1) Potential Speed-Up (%) | (72x1) Efficiency | (72x1) Potential Speed-Up (%) | (80x1) Efficiency | (80x1) Potential Speed-Up (%) | (88x1) Efficiency | (88x1) Potential Speed-Up (%) | (96x1) Efficiency | (96x1) Potential Speed-Up (%) |
---|
19140 | exec - pair_eam.cpp:272-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 48.73 | 48.53 | 48.38 | 48.04 | 47.55 | 47.24 | 46.91 | 46.59 | 46.45 | 45.63 | 45.78 | 45.50 | 44.79 | 48.78 | 48.44 | 48.19 | 47.42 | 47.42 | 47.09 | 46.62 | 45.60 | 46.52 | 45.20 | 45.91 | 43.30 | 44.67 | 48.78 | 48.44 | 48.19 | 47.42 | 47.42 | 47.09 | 46.62 | 45.60 | 46.52 | 45.20 | 45.91 | 43.30 | 44.67 | 1570.10 | 210.10 | 106.48 | 72.49 | 54.83 | 44.25 | 36.76 | 31.06 | 28.89 | 24.24 | 23.31 | 20.54 | 19.10 | 1570.10 | 210.10 | 106.48 | 72.49 | 54.83 | 44.25 | 36.76 | 31.06 | 28.89 | 24.24 | 23.31 | 20.54 | 19.10 | 1570.10 | 209.27 | 105.78 | 71.30 | 54.41 | 43.86 | 36.32 | 30.21 | 28.68 | 23.82 | 23.12 | 19.36 | 18.84 | 1570.10 | 209.27 | 105.78 | 71.30 | 54.41 | 43.86 | 36.32 | 30.21 | 28.68 | 23.82 | 23.12 | 19.36 | 18.84 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 22.22 | 59.03 | 2.26 | 1 | 1.19 | 1 | 1 | 1.01 | 1.02 | 1.01 | 1.01 | 1.01 | 1.03 | 1.01 | 1.02 | 1.01 | 1.06 | 1.02 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.94 | 3.01 | 0.93 | 3.48 | 0.92 | 3.91 | 0.9 | 4.65 | 0.89 | 4.95 | 0.9 | 4.63 | 0.93 | 3.28 | 0.86 | 6.72 | 0.92 | 3.82 | 0.85 | 6.94 | 0.92 | 3.39 | 0.87 | 5.89 |
19143 | exec - pair_eam.cpp:188-215 | LAMMPS_NS::PairEAM::compute(int, int) | InBetween | 28.70 | 28.82 | 29.00 | 28.70 | 28.25 | 27.96 | 27.94 | 27.52 | 27.47 | 27.09 | 27.08 | 27.22 | 26.46 | 28.73 | 28.82 | 29.01 | 28.42 | 28.17 | 27.80 | 27.56 | 26.99 | 27.43 | 26.84 | 27.06 | 25.80 | 26.28 | 28.86 | 28.96 | 29.13 | 28.54 | 28.30 | 27.92 | 27.68 | 27.11 | 27.54 | 26.96 | 27.17 | 25.91 | 26.40 | 924.63 | 124.79 | 63.83 | 43.31 | 32.57 | 26.20 | 21.89 | 18.35 | 17.08 | 14.39 | 13.78 | 12.29 | 11.29 | 928.79 | 125.27 | 64.08 | 43.48 | 32.67 | 26.34 | 21.97 | 18.42 | 17.16 | 14.45 | 13.82 | 12.32 | 11.32 | 924.63 | 124.53 | 63.68 | 42.73 | 32.32 | 25.89 | 21.47 | 17.88 | 16.91 | 14.14 | 13.63 | 11.53 | 11.08 | 928.79 | 125.10 | 63.95 | 42.92 | 32.47 | 26.00 | 21.56 | 17.96 | 16.98 | 14.21 | 13.69 | 11.58 | 11.13 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 19.35 | 56.45 | 2.22 | 1 | 1.2 | 1 | 1 | 1 | 1.01 | 1.01 | 1.01 | 1.02 | 1.03 | 1.01 | 1.02 | 1.01 | 1.07 | 1.02 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.93 | 2.07 | 0.91 | 2.68 | 0.9 | 2.8 | 0.89 | 2.99 | 0.89 | 2.98 | 0.9 | 2.83 | 0.92 | 2.07 | 0.85 | 3.99 | 0.91 | 2.47 | 0.85 | 4.11 | 0.91 | 2.29 | 0.87 | 3.45 |
1220 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 15.55 | 15.05 | 14.63 | 14.54 | 14.40 | 14.16 | 14.03 | 14.06 | 13.89 | 13.87 | 13.58 | 13.39 | 13.36 | 15.57 | 14.95 | 14.56 | 14.25 | 14.22 | 14.04 | 13.90 | 13.65 | 13.61 | 13.53 | 13.40 | 12.87 | 13.08 | 15.57 | 14.95 | 14.56 | 14.25 | 14.22 | 14.04 | 13.90 | 13.65 | 13.61 | 13.53 | 13.40 | 12.87 | 13.08 | 501.19 | 65.14 | 32.20 | 21.93 | 16.60 | 13.26 | 10.99 | 9.37 | 8.64 | 7.37 | 6.91 | 6.05 | 5.70 | 501.19 | 65.14 | 32.20 | 21.93 | 16.60 | 13.26 | 10.99 | 9.37 | 8.64 | 7.37 | 6.91 | 6.05 | 5.70 | 501.19 | 64.57 | 31.95 | 21.42 | 16.32 | 13.07 | 10.83 | 9.04 | 8.39 | 7.13 | 6.75 | 5.75 | 5.51 | 501.19 | 64.57 | 31.95 | 21.42 | 16.32 | 13.07 | 10.83 | 9.04 | 8.39 | 7.13 | 6.75 | 5.75 | 5.51 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 21.05 | 53.95 | 3.22 | 1 | 1.22 | 1 | 1.01 | 1.01 | 1.02 | 1.02 | 1.02 | 1.02 | 1.04 | 1.03 | 1.04 | 1.03 | 1.05 | 1.04 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.97 | 0.44 | 0.98 | 0.28 | 0.97 | 0.36 | 0.96 | 0.57 | 0.96 | 0.58 | 0.96 | 0.5 | 0.99 | 0.14 | 0.93 | 0.91 | 0.98 | 0.32 | 0.93 | 0.97 | 0.99 | 0.13 | 0.95 | 0.7 |
1219 | exec - npair_bin.cpp:112-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 2.06 | 1.97 | 2.01 | 1.97 | 1.87 | 2.00 | 1.95 | 2.04 | 1.83 | 2.08 | 1.92 | 2.00 | 2.02 | 2.06 | 1.91 | 1.89 | 1.86 | 1.76 | 1.77 | 1.77 | 1.81 | 1.67 | 1.78 | 1.66 | 1.71 | 1.67 | 17.77 | 17.01 | 16.60 | 16.24 | 16.13 | 15.96 | 15.81 | 15.59 | 15.44 | 15.45 | 15.21 | 14.70 | 14.89 | 66.27 | 8.52 | 4.42 | 2.98 | 2.16 | 1.87 | 1.53 | 1.36 | 1.14 | 1.10 | 0.98 | 0.91 | 0.86 | 571.87 | 74.28 | 36.68 | 24.76 | 18.76 | 15.15 | 12.48 | 10.59 | 9.68 | 8.32 | 7.79 | 6.87 | 6.46 | 66.27 | 8.27 | 4.15 | 2.80 | 2.02 | 1.65 | 1.38 | 1.20 | 1.03 | 0.94 | 0.84 | 0.76 | 0.70 | 571.87 | 73.50 | 36.43 | 24.43 | 18.51 | 14.86 | 12.32 | 10.33 | 9.52 | 8.14 | 7.66 | 6.57 | 6.28 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 37.5 | 1 | 1 | 3.58 | 1 | 1.03 | 1.07 | 1.06 | 1.07 | 1.13 | 1.11 | 1.14 | 1.11 | 1.18 | 1.17 | 1.19 | 1.23 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 1 | 0 | 1 | 0.01 | 0.99 | 0.02 | 1.03 | 0 | 1 | 0 | 1 | 0 | 0.99 | 0.02 | 1.01 | 0 | 0.98 | 0.04 | 0.99 | 0.01 | 0.99 | 0.02 | 0.98 | 0.03 |
19144 | exec - pair_eam.cpp:188-217 | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 1.64 | 1.61 | 1.61 | 1.69 | 1.76 | 1.72 | 1.67 | 1.73 | 1.77 | 1.62 | 1.75 | 1.90 | 1.79 | 1.64 | 1.58 | 1.56 | 1.50 | 1.55 | 1.56 | 1.52 | 1.47 | 1.51 | 1.44 | 1.49 | 1.41 | 1.43 | 30.50 | 30.54 | 30.70 | 30.04 | 29.85 | 29.48 | 29.20 | 28.57 | 29.05 | 28.40 | 28.67 | 27.32 | 27.83 | 52.94 | 6.97 | 3.55 | 2.55 | 2.02 | 1.61 | 1.31 | 1.15 | 1.10 | 0.86 | 0.89 | 0.86 | 0.76 | 981.74 | 132.07 | 67.50 | 45.73 | 34.44 | 27.65 | 22.97 | 19.38 | 17.98 | 15.21 | 14.52 | 12.97 | 11.86 | 52.95 | 6.82 | 3.43 | 2.25 | 1.78 | 1.45 | 1.18 | 0.97 | 0.93 | 0.76 | 0.75 | 0.63 | 0.60 | 981.74 | 131.92 | 67.38 | 45.17 | 34.25 | 27.45 | 22.75 | 18.93 | 17.91 | 14.97 | 14.44 | 12.21 | 11.74 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 25 | 62.5 | 1.89 | 1.7 | 1.17 | 1 | 1.02 | 1.03 | 1.13 | 1.14 | 1.11 | 1.11 | 1.19 | 1.18 | 1.14 | 1.19 | 1.37 | 1.27 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.97 | 0.05 | 0.96 | 0.06 | 0.98 | 0.03 | 0.93 | 0.11 | 0.91 | 0.13 | 0.93 | 0.1 | 0.97 | 0.04 | 0.89 | 0.17 | 0.97 | 0.04 | 0.88 | 0.18 | 0.95 | 0.06 | 0.92 | 0.12 |
19139 | exec - pair_eam.cpp:261-326 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Outermost | 0.54 | 0.54 | 0.54 | 0.52 | 0.56 | 0.56 | 0.62 | 0.54 | 0.58 | 0.59 | 0.63 | 0.55 | 0.59 | 0.54 | 0.50 | 0.48 | 0.46 | 0.47 | 0.43 | 0.48 | 0.42 | 0.46 | 0.46 | 0.44 | 0.36 | 0.44 | 49.32 | 48.94 | 48.67 | 47.87 | 47.88 | 47.52 | 47.10 | 46.02 | 46.98 | 45.66 | 46.35 | 43.67 | 45.11 | 17.44 | 2.35 | 1.19 | 0.79 | 0.65 | 0.52 | 0.49 | 0.36 | 0.36 | 0.31 | 0.32 | 0.25 | 0.25 | 1587.54 | 212.19 | 107.44 | 73.18 | 55.32 | 44.68 | 37.13 | 31.30 | 29.13 | 24.48 | 23.54 | 20.70 | 19.28 | 17.44 | 2.14 | 1.06 | 0.69 | 0.54 | 0.40 | 0.37 | 0.28 | 0.28 | 0.24 | 0.22 | 0.16 | 0.18 | 1587.54 | 211.42 | 106.84 | 71.99 | 54.95 | 44.26 | 36.69 | 30.49 | 28.96 | 24.06 | 23.34 | 19.52 | 19.02 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 28.57 | 57.14 | 2.89 | 1 | 1.21 | 1 | 1.1 | 1.13 | 1.15 | 1.21 | 1.31 | 1.3 | 1.29 | 1.28 | 1.3 | 1.45 | 1.54 | 1.36 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 1.02 | 0 | 1.03 | 0 | 1.06 | 0 | 1.01 | 0 | 1.1 | 0 | 0.97 | 0.01 | 1.11 | 0 | 0.97 | 0.01 | 1 | 0 | 0.98 | 0.01 | 1.22 | 0 | 0.99 | 0.01 |
11085 | exec - fix_nve.cpp:98-106 | LAMMPS_NS::FixNVE::initial_integrate(int) | Single | 0.43 | 0.58 | 0.75 | 1.08 | 1.39 | 1.63 | 1.78 | 1.88 | 2.12 | 2.39 | 2.52 | 1.98 | 2.92 | 0.43 | 0.51 | 0.74 | 1.07 | 1.37 | 1.60 | 1.76 | 1.77 | 2.08 | 2.34 | 2.50 | 1.89 | 2.86 | 0.43 | 0.51 | 0.74 | 1.07 | 1.37 | 1.60 | 1.76 | 1.77 | 2.08 | 2.34 | 2.50 | 1.89 | 2.86 | 13.90 | 2.52 | 1.65 | 1.63 | 1.60 | 1.53 | 1.40 | 1.25 | 1.32 | 1.27 | 1.29 | 0.90 | 1.25 | 13.90 | 2.52 | 1.65 | 1.63 | 1.60 | 1.53 | 1.40 | 1.25 | 1.32 | 1.27 | 1.29 | 0.90 | 1.25 | 13.90 | 2.20 | 1.62 | 1.60 | 1.57 | 1.49 | 1.37 | 1.17 | 1.28 | 1.23 | 1.26 | 0.84 | 1.21 | 13.90 | 2.20 | 1.62 | 1.60 | 1.57 | 1.49 | 1.37 | 1.17 | 1.28 | 1.23 | 1.26 | 0.84 | 1.21 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 7.14 | 52.68 | 1.25 | 1.16 | 1.56 | 1 | 1.14 | 1.02 | 1.02 | 1.02 | 1.03 | 1.02 | 1.07 | 1.03 | 1.03 | 1.02 | 1.06 | 1.04 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.79 | 0.11 | 0.54 | 0.34 | 0.36 | 0.68 | 0.28 | 0.99 | 0.23 | 1.23 | 0.21 | 1.39 | 0.21 | 1.39 | 0.17 | 1.73 | 0.16 | 1.97 | 0.14 | 2.15 | 0.19 | 1.53 | 0.12 | 2.51 |
11087 | exec - fix_nve.cpp:138-143 | LAMMPS_NS::FixNVE::final_integrate() | Single | 0.23 | 0.47 | 0.48 | 0.69 | 0.92 | 1.06 | 1.19 | 1.24 | 1.33 | 1.52 | 1.60 | 1.36 | 1.98 | 0.23 | 0.38 | 0.47 | 0.68 | 0.87 | 1.02 | 1.15 | 1.05 | 1.29 | 1.45 | 1.54 | 1.19 | 1.76 | 0.23 | 0.38 | 0.47 | 0.68 | 0.87 | 1.02 | 1.15 | 1.05 | 1.29 | 1.45 | 1.54 | 1.19 | 1.76 | 7.55 | 2.04 | 1.05 | 1.04 | 1.06 | 1.00 | 0.93 | 0.82 | 0.82 | 0.81 | 0.82 | 0.62 | 0.85 | 7.55 | 2.04 | 1.05 | 1.04 | 1.06 | 1.00 | 0.93 | 0.82 | 0.82 | 0.81 | 0.82 | 0.62 | 0.85 | 7.55 | 1.63 | 1.04 | 1.02 | 1.00 | 0.95 | 0.89 | 0.70 | 0.80 | 0.76 | 0.78 | 0.53 | 0.74 | 7.55 | 1.63 | 1.04 | 1.02 | 1.00 | 0.95 | 0.89 | 0.70 | 0.80 | 0.76 | 0.78 | 0.53 | 0.74 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 6.67 | 51.67 | 1.38 | 1.26 | 1.49 | 1 | 1.25 | 1.01 | 1.02 | 1.06 | 1.04 | 1.04 | 1.18 | 1.04 | 1.06 | 1.05 | 1.16 | 1.15 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.58 | 0.16 | 0.46 | 0.26 | 0.31 | 0.47 | 0.24 | 0.67 | 0.2 | 0.82 | 0.18 | 0.94 | 0.19 | 0.85 | 0.15 | 1.1 | 0.14 | 1.25 | 0.12 | 1.35 | 0.16 | 1 | 0.11 | 1.57 |
1218 | exec - npair_bin.cpp:93-248 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | InBetween | 0.21 | 0.21 | 0.18 | 0.21 | 0.21 | 0.20 | 0.20 | 0.22 | 0.26 | 0.24 | 0.26 | 0.23 | 0.25 | 0.21 | 0.20 | 0.16 | 0.15 | 0.16 | 0.15 | 0.15 | 0.15 | 0.15 | 0.15 | 0.14 | 0.13 | 0.14 | 17.98 | 17.21 | 16.75 | 16.40 | 16.29 | 16.11 | 15.97 | 15.74 | 15.59 | 15.60 | 15.34 | 14.84 | 15.03 | 6.85 | 0.91 | 0.40 | 0.31 | 0.24 | 0.19 | 0.16 | 0.15 | 0.16 | 0.13 | 0.13 | 0.11 | 0.10 | 578.73 | 75.14 | 37.01 | 25.07 | 18.91 | 15.27 | 12.59 | 10.71 | 9.79 | 8.41 | 7.82 | 6.95 | 6.51 | 6.85 | 0.85 | 0.35 | 0.23 | 0.18 | 0.14 | 0.12 | 0.10 | 0.09 | 0.08 | 0.07 | 0.06 | 0.06 | 578.73 | 74.35 | 36.78 | 24.65 | 18.69 | 15.00 | 12.44 | 10.43 | 9.61 | 8.22 | 7.73 | 6.63 | 6.34 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 7.69 | 40.38 | 9 | 1 | 1.33 | 1 | 1.07 | 1.14 | 1.36 | 1.33 | 1.36 | 1.35 | 1.51 | 1.73 | 1.59 | 1.89 | 1.75 | 1.75 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 1.01 | 0 | 1.23 | 0 | 1.25 | 0 | 1.19 | 0 | 1.23 | 0 | 1.21 | 0 | 1.23 | 0 | 1.16 | 0 | 1.21 | 0 | 1.25 | 0 | 1.29 | 0 | 1.19 | 0 |
19141 | exec - pair_eam.cpp:232-249 | LAMMPS_NS::PairEAM::compute(int, int) | Single | 0.21 | 0.20 | 0.22 | 0.24 | 0.30 | 0.29 | 0.31 | 0.31 | 0.43 | 0.46 | 0.48 | 0.37 | 0.53 | 0.21 | 0.20 | 0.21 | 0.22 | 0.23 | 0.24 | 0.26 | 0.28 | 0.33 | 0.36 | 0.38 | 0.25 | 0.39 | 0.21 | 0.20 | 0.21 | 0.22 | 0.23 | 0.24 | 0.26 | 0.28 | 0.33 | 0.36 | 0.38 | 0.25 | 0.39 | 6.63 | 0.88 | 0.48 | 0.35 | 0.35 | 0.27 | 0.24 | 0.21 | 0.27 | 0.25 | 0.25 | 0.16 | 0.22 | 6.63 | 0.88 | 0.48 | 0.35 | 0.35 | 0.27 | 0.24 | 0.21 | 0.27 | 0.25 | 0.25 | 0.16 | 0.22 | 6.63 | 0.85 | 0.46 | 0.33 | 0.26 | 0.23 | 0.20 | 0.18 | 0.20 | 0.19 | 0.19 | 0.11 | 0.17 | 6.63 | 0.85 | 0.46 | 0.33 | 0.26 | 0.23 | 0.20 | 0.18 | 0.20 | 0.19 | 0.19 | 0.11 | 0.17 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 9.09 | 52.27 | 1.52 | 1.29 | 1.38 | 1 | 1.03 | 1.04 | 1.09 | 1.34 | 1.2 | 1.18 | 1.12 | 1.32 | 1.29 | 1.28 | 1.51 | 1.37 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.98 | 0 | 0.91 | 0.02 | 0.84 | 0.03 | 0.79 | 0.05 | 0.73 | 0.06 | 0.68 | 0.08 | 0.65 | 0.1 | 0.52 | 0.16 | 0.49 | 0.19 | 0.43 | 0.22 | 0.69 | 0.08 | 0.42 | 0.23 |
1221 | exec - npair_bin.cpp:122-219 [...] | LAMMPS_NS::NPairBin<1, 1, 0, 0, 1>::build(LAMMPS_NS::NeighList*) | Innermost | 0.14 | 0.17 | 0.18 | 0.18 | 0.19 | 0.22 | 0.20 | 0.19 | 0.24 | 0.22 | 0.25 | 0.23 | 0.28 | 0.14 | 0.15 | 0.15 | 0.14 | 0.15 | 0.15 | 0.14 | 0.14 | 0.15 | 0.14 | 0.14 | 0.13 | 0.14 | 0.14 | 0.15 | 0.15 | 0.14 | 0.15 | 0.15 | 0.14 | 0.14 | 0.15 | 0.14 | 0.14 | 0.13 | 0.14 | 4.41 | 0.72 | 0.39 | 0.28 | 0.22 | 0.21 | 0.16 | 0.13 | 0.15 | 0.12 | 0.13 | 0.11 | 0.12 | 4.41 | 0.72 | 0.39 | 0.28 | 0.22 | 0.21 | 0.16 | 0.13 | 0.15 | 0.12 | 0.13 | 0.11 | 0.12 | 4.41 | 0.66 | 0.33 | 0.21 | 0.17 | 0.14 | 0.11 | 0.09 | 0.09 | 0.07 | 0.07 | 0.06 | 0.06 | 4.41 | 0.66 | 0.33 | 0.21 | 0.17 | 0.14 | 0.11 | 0.09 | 0.09 | 0.07 | 0.07 | 0.06 | 0.06 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 18.52 | 53.7 | 1.71 | 1 | 1.05 | 1 | 1.09 | 1.21 | 1.32 | 1.27 | 1.5 | 1.47 | 1.45 | 1.59 | 1.6 | 1.74 | 1.86 | 2.01 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.83 | 0.03 | 0.85 | 0.02 | 0.88 | 0.02 | 0.82 | 0.03 | 0.81 | 0.03 | 0.84 | 0.02 | 0.88 | 0.02 | 0.73 | 0.04 | 0.85 | 0.02 | 0.77 | 0.03 | 0.89 | 0.01 | 0.77 | 0.03 |
19142 | exec - pair_eam.cpp:188-197 [...] | LAMMPS_NS::PairEAM::compute(int, int) | Innermost | 0.13 | 0.15 | 0.18 | 0.17 | 0.18 | 0.19 | 0.17 | 0.19 | 0.19 | 0.21 | 0.20 | 0.23 | 0.22 | 0.13 | 0.13 | 0.12 | 0.12 | 0.13 | 0.12 | 0.12 | 0.12 | 0.11 | 0.12 | 0.12 | 0.12 | 0.11 | 0.13 | 0.13 | 0.12 | 0.12 | 0.13 | 0.12 | 0.12 | 0.12 | 0.11 | 0.12 | 0.12 | 0.12 | 0.11 | 4.16 | 0.65 | 0.40 | 0.25 | 0.21 | 0.17 | 0.14 | 0.13 | 0.12 | 0.11 | 0.10 | 0.10 | 0.09 | 4.16 | 0.65 | 0.40 | 0.25 | 0.21 | 0.17 | 0.14 | 0.13 | 0.12 | 0.11 | 0.10 | 0.10 | 0.09 | 4.16 | 0.57 | 0.27 | 0.18 | 0.15 | 0.11 | 0.09 | 0.08 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 4.16 | 0.57 | 0.27 | 0.18 | 0.15 | 0.11 | 0.09 | 0.08 | 0.07 | 0.06 | 0.06 | 0.05 | 0.05 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 50 | 1 | 1 | 2 | 1 | 1.14 | 1.47 | 1.37 | 1.43 | 1.61 | 1.44 | 1.57 | 1.7 | 1.71 | 1.72 | 2.01 | 1.97 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.91 | 0.01 | 0.97 | 0 | 0.95 | 0.01 | 0.89 | 0.01 | 0.95 | 0.01 | 0.92 | 0.01 | 0.93 | 0.01 | 0.92 | 0.01 | 0.9 | 0.01 | 0.89 | 0.01 | 0.9 | 0.01 | 0.89 | 0.01 |
6778 | exec - comm_brick.cpp:841-844 | LAMMPS_NS::CommBrick::borders() | Innermost | 0.12 | 0.23 | 0.23 | 0.27 | 0.35 | 0.42 | 0.47 | 0.50 | 0.51 | 0.58 | 0.64 | 0.71 | 0.70 | 0.12 | 0.19 | 0.21 | 0.24 | 0.32 | 0.38 | 0.44 | 0.46 | 0.48 | 0.54 | 0.56 | 0.64 | 0.65 | 0.12 | 0.19 | 0.21 | 0.24 | 0.32 | 0.38 | 0.44 | 0.46 | 0.48 | 0.54 | 0.56 | 0.64 | 0.65 | 3.98 | 1.00 | 0.50 | 0.40 | 0.41 | 0.39 | 0.36 | 0.34 | 0.31 | 0.31 | 0.33 | 0.32 | 0.30 | 3.98 | 1.00 | 0.50 | 0.40 | 0.41 | 0.39 | 0.36 | 0.34 | 0.31 | 0.31 | 0.33 | 0.32 | 0.30 | 3.98 | 0.80 | 0.47 | 0.36 | 0.37 | 0.35 | 0.34 | 0.31 | 0.30 | 0.28 | 0.28 | 0.28 | 0.27 | 3.98 | 0.80 | 0.47 | 0.36 | 0.37 | 0.35 | 0.34 | 0.31 | 0.30 | 0.28 | 0.28 | 0.28 | 0.27 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 35 | 3 | 1 | 3.69 | 1 | 1.26 | 1.07 | 1.12 | 1.1 | 1.1 | 1.07 | 1.1 | 1.07 | 1.1 | 1.15 | 1.13 | 1.1 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.62 | 0.07 | 0.53 | 0.1 | 0.46 | 0.13 | 0.34 | 0.21 | 0.28 | 0.27 | 0.24 | 0.33 | 0.23 | 0.35 | 0.21 | 0.38 | 0.2 | 0.43 | 0.18 | 0.46 | 0.16 | 0.54 | 0.15 | 0.55 |
14394 | exec - nbin_standard.cpp:254-258 | LAMMPS_NS::NBinStandard::bin_atoms() | Single | 0.08 | 0.09 | 0.10 | 0.10 | 0.12 | 0.11 | 0.13 | 0.14 | 0.17 | 0.18 | 0.18 | 0.21 | 0.19 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.09 | 0.10 | 0.10 | 0.10 | 0.10 | 0.12 | 0.11 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.08 | 0.09 | 0.10 | 0.10 | 0.10 | 0.10 | 0.12 | 0.11 | 2.47 | 0.38 | 0.21 | 0.15 | 0.14 | 0.11 | 0.10 | 0.09 | 0.10 | 0.09 | 0.09 | 0.09 | 0.08 | 2.47 | 0.38 | 0.21 | 0.15 | 0.14 | 0.11 | 0.10 | 0.09 | 0.10 | 0.09 | 0.09 | 0.09 | 0.08 | 2.48 | 0.33 | 0.17 | 0.12 | 0.09 | 0.07 | 0.07 | 0.07 | 0.06 | 0.05 | 0.05 | 0.05 | 0.05 | 2.48 | 0.33 | 0.17 | 0.12 | 0.09 | 0.07 | 0.07 | 0.07 | 0.06 | 0.05 | 0.05 | 0.05 | 0.05 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 29.17 | 1 | 1 | 3.53 | 1 | 1.16 | 1.25 | 1.29 | 1.51 | 1.42 | 1.45 | 1.43 | 1.72 | 1.78 | 1.74 | 1.79 | 1.66 | 1 | 0 | 0 | 0 | 1 | 50.00 | 1 | 0 | 0.95 | 0 | 0.92 | 0.01 | 0.86 | 0.01 | 0.83 | 0.01 | 0.84 | 0.01 | 0.75 | 0.02 | 0.66 | 0.03 | 0.63 | 0.04 | 0.64 | 0.04 | 0.6 | 0.04 | 0.53 | 0.06 | 0.53 | 0.05 |
6773 | exec - comm_brick.cpp:709-715 | LAMMPS_NS::CommBrick::exchange() | Innermost | 0.06 | 0.10 | 0.10 | 0.12 | 0.16 | 0.18 | 0.22 | 0.25 | 0.24 | 0.26 | 0.28 | 0.33 | 0.34 | 0.06 | 0.08 | 0.09 | 0.10 | 0.12 | 0.14 | 0.19 | 0.22 | 0.20 | 0.23 | 0.22 | 0.25 | 0.27 | 0.06 | 0.08 | 0.09 | 0.10 | 0.12 | 0.14 | 0.19 | 0.22 | 0.20 | 0.23 | 0.22 | 0.25 | 0.27 | 1.91 | 0.43 | 0.22 | 0.18 | 0.18 | 0.17 | 0.17 | 0.17 | 0.15 | 0.14 | 0.14 | 0.15 | 0.14 | 1.91 | 0.43 | 0.22 | 0.18 | 0.18 | 0.17 | 0.17 | 0.17 | 0.15 | 0.14 | 0.14 | 0.15 | 0.14 | 1.91 | 0.35 | 0.20 | 0.15 | 0.13 | 0.13 | 0.15 | 0.15 | 0.12 | 0.12 | 0.11 | 0.11 | 0.11 | 1.91 | 0.35 | 0.20 | 0.15 | 0.13 | 0.13 | 0.15 | 0.15 | 0.12 | 0.12 | 0.11 | 0.11 | 0.11 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 35.29 | 8.29 | 1 | 3.44 | 1 | 1.22 | 1.14 | 1.16 | 1.35 | 1.22 | 1.16 | 1.16 | 1.22 | 1.16 | 1.31 | 1.33 | 1.3 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.68 | 0.03 | 0.6 | 0.04 | 0.53 | 0.05 | 0.45 | 0.06 | 0.35 | 0.09 | 0.27 | 0.14 | 0.23 | 0.17 | 0.24 | 0.15 | 0.22 | 0.18 | 0.22 | 0.17 | 0.19 | 0.21 | 0.18 | 0.22 |
8883 | exec - domain.cpp:806-883 | LAMMPS_NS::Domain::pbc() | Single | 0.06 | 0.06 | 0.06 | 0.07 | 0.07 | 0.09 | 0.08 | 0.07 | 0.10 | 0.10 | 0.13 | 0.14 | 0.14 | 0.06 | 0.05 | 0.06 | 0.06 | 0.05 | 0.07 | 0.06 | 0.05 | 0.07 | 0.08 | 0.09 | 0.10 | 0.09 | 0.06 | 0.05 | 0.06 | 0.06 | 0.05 | 0.07 | 0.06 | 0.05 | 0.07 | 0.08 | 0.09 | 0.10 | 0.09 | 1.79 | 0.24 | 0.13 | 0.10 | 0.08 | 0.09 | 0.06 | 0.05 | 0.06 | 0.06 | 0.07 | 0.06 | 0.06 | 1.79 | 0.24 | 0.13 | 0.10 | 0.08 | 0.09 | 0.06 | 0.05 | 0.06 | 0.06 | 0.07 | 0.06 | 0.06 | 1.80 | 0.22 | 0.12 | 0.09 | 0.06 | 0.07 | 0.05 | 0.03 | 0.05 | 0.04 | 0.05 | 0.05 | 0.04 | 1.80 | 0.22 | 0.12 | 0.09 | 0.06 | 0.07 | 0.05 | 0.03 | 0.05 | 0.04 | 0.05 | 0.05 | 0.04 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 3.6 | 47.07 | 1.67 | 1.22 | 1.53 | 1 | 1.1 | 1.07 | 1.12 | 1.25 | 1.28 | 1.28 | 1.49 | 1.43 | 1.32 | 1.38 | 1.39 | 1.52 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 1.03 | 0 | 0.92 | 0 | 0.83 | 0.01 | 0.93 | 0 | 0.68 | 0.02 | 0.8 | 0.01 | 0.95 | 0 | 0.62 | 0.03 | 0.6 | 0.03 | 0.48 | 0.05 | 0.44 | 0.06 | 0.47 | 0.05 |
983 | exec - neighbor.cpp:2430-2435 | LAMMPS_NS::Neighbor::check_distance() | Single | 0.04 | 0.06 | 0.09 | 0.12 | 0.16 | 0.18 | 0.24 | 0.26 | 0.26 | 0.33 | 0.31 | 0.33 | 0.45 | 0.04 | 0.06 | 0.07 | 0.10 | 0.14 | 0.16 | 0.21 | 0.22 | 0.23 | 0.26 | 0.27 | 0.25 | 0.32 | 0.04 | 0.06 | 0.07 | 0.10 | 0.14 | 0.16 | 0.21 | 0.22 | 0.23 | 0.26 | 0.27 | 0.25 | 0.32 | 1.22 | 0.27 | 0.20 | 0.18 | 0.18 | 0.17 | 0.19 | 0.17 | 0.16 | 0.17 | 0.16 | 0.15 | 0.19 | 1.22 | 0.27 | 0.20 | 0.18 | 0.18 | 0.17 | 0.19 | 0.17 | 0.16 | 0.17 | 0.16 | 0.15 | 0.19 | 1.22 | 0.24 | 0.15 | 0.15 | 0.16 | 0.15 | 0.16 | 0.14 | 0.14 | 0.14 | 0.14 | 0.11 | 0.13 | 1.22 | 0.24 | 0.15 | 0.15 | 0.16 | 0.15 | 0.16 | 0.14 | 0.14 | 0.14 | 0.14 | 0.11 | 0.13 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 36.36 | 68.18 | 1.69 | 1.09 | 1.2 | 1 | 1.09 | 1.33 | 1.22 | 1.15 | 1.12 | 1.14 | 1.23 | 1.15 | 1.28 | 1.18 | 1.35 | 1.41 | 0 | 2 | 0 | 2 | 0 | 75.00 | 1 | 0 | 0.63 | 0.02 | 0.51 | 0.03 | 0.35 | 0.06 | 0.24 | 0.1 | 0.2 | 0.13 | 0.16 | 0.18 | 0.15 | 0.18 | 0.14 | 0.2 | 0.12 | 0.23 | 0.11 | 0.24 | 0.12 | 0.22 | 0.09 | 0.29 |
5947 | exec - atom_vec.cpp:735-739 | LAMMPS_NS::AtomVec::unpack_reverse(int, int*, double*) | Single | 0.03 | 0.10 | 0.15 | 0.17 | 0.19 | 0.23 | 0.20 | 0.35 | 0.30 | 0.31 | 0.33 | 0.51 | 0.35 | 0.03 | 0.09 | 0.13 | 0.14 | 0.16 | 0.18 | 0.16 | 0.25 | 0.21 | 0.21 | 0.25 | 0.34 | 0.25 | 0.03 | 0.09 | 0.13 | 0.14 | 0.16 | 0.18 | 0.16 | 0.25 | 0.21 | 0.21 | 0.25 | 0.34 | 0.25 | 1.07 | 0.42 | 0.33 | 0.25 | 0.22 | 0.22 | 0.15 | 0.23 | 0.19 | 0.17 | 0.17 | 0.23 | 0.15 | 1.07 | 0.42 | 0.33 | 0.25 | 0.22 | 0.22 | 0.15 | 0.23 | 0.19 | 0.17 | 0.17 | 0.23 | 0.15 | 1.07 | 0.38 | 0.29 | 0.21 | 0.18 | 0.16 | 0.13 | 0.16 | 0.13 | 0.11 | 0.12 | 0.15 | 0.11 | 1.07 | 0.38 | 0.29 | 0.21 | 0.18 | 0.16 | 0.13 | 0.16 | 0.13 | 0.11 | 0.12 | 0.15 | 0.11 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 9.09 | 54.55 | 1.24 | 1.24 | 1.56 | 1 | 1.12 | 1.15 | 1.23 | 1.23 | 1.32 | 1.24 | 1.45 | 1.43 | 1.46 | 1.37 | 1.52 | 1.43 | 2 | 0 | 0 | 1 | 1 | 62.50 | 1 | 0 | 0.36 | 0.06 | 0.23 | 0.1 | 0.22 | 0.11 | 0.19 | 0.13 | 0.16 | 0.15 | 0.18 | 0.13 | 0.12 | 0.22 | 0.13 | 0.18 | 0.13 | 0.19 | 0.11 | 0.22 | 0.08 | 0.31 | 0.11 | 0.22 |
991 | exec - neighbor.cpp:2480-2483 | LAMMPS_NS::Neighbor::build(int) | Single | 0.03 | 0.04 | 0.05 | 0.09 | 0.12 | 0.14 | 0.15 | 0.16 | 0.17 | 0.19 | 0.22 | 0.22 | 0.27 | 0.03 | 0.04 | 0.05 | 0.07 | 0.10 | 0.12 | 0.13 | 0.15 | 0.16 | 0.17 | 0.19 | 0.20 | 0.22 | 0.03 | 0.04 | 0.05 | 0.07 | 0.10 | 0.12 | 0.13 | 0.15 | 0.16 | 0.17 | 0.19 | 0.20 | 0.22 | 0.86 | 0.19 | 0.12 | 0.13 | 0.14 | 0.14 | 0.12 | 0.11 | 0.11 | 0.10 | 0.11 | 0.10 | 0.11 | 0.86 | 0.19 | 0.12 | 0.13 | 0.14 | 0.14 | 0.12 | 0.11 | 0.11 | 0.10 | 0.11 | 0.10 | 0.11 | 0.86 | 0.17 | 0.11 | 0.11 | 0.11 | 0.11 | 0.10 | 0.10 | 0.10 | 0.09 | 0.09 | 0.09 | 0.09 | 0.86 | 0.17 | 0.11 | 0.11 | 0.11 | 0.11 | 0.10 | 0.10 | 0.10 | 0.09 | 0.09 | 0.09 | 0.09 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 50 | 1.31 | 1 | 2 | 1 | 1.08 | 1.13 | 1.27 | 1.24 | 1.18 | 1.16 | 1.12 | 1.09 | 1.11 | 1.17 | 1.13 | 1.25 | 2 | 0 | 0 | 2 | 0 | 75.00 | 1 | 0 | 0.63 | 0.01 | 0.5 | 0.02 | 0.34 | 0.05 | 0.24 | 0.07 | 0.19 | 0.1 | 0.17 | 0.11 | 0.16 | 0.12 | 0.14 | 0.13 | 0.13 | 0.15 | 0.11 | 0.16 | 0.11 | 0.18 | 0.1 | 0.2 |
5847 | exec - atom_vec.cpp:378-382 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.03 | 0.04 | 0.07 | 0.08 | 0.10 | 0.12 | 0.10 | 0.18 | 0.14 | 0.23 | 0.18 | 0.28 | 0.26 | 0.03 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.05 | 0.05 | 0.06 | 0.06 | 0.07 | 0.08 | 0.07 | 0.03 | 0.04 | 0.04 | 0.04 | 0.04 | 0.05 | 0.05 | 0.05 | 0.06 | 0.06 | 0.07 | 0.08 | 0.07 | 0.82 | 0.17 | 0.15 | 0.12 | 0.12 | 0.11 | 0.08 | 0.12 | 0.09 | 0.12 | 0.09 | 0.13 | 0.11 | 0.82 | 0.17 | 0.15 | 0.12 | 0.12 | 0.11 | 0.08 | 0.12 | 0.09 | 0.12 | 0.09 | 0.13 | 0.11 | 0.82 | 0.16 | 0.09 | 0.06 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 0.82 | 0.16 | 0.09 | 0.06 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.04 | 0.03 | 1 | 8 | 16 | 23 | 32 | 40 | 42 | 55 | 56 | 64 | 66 | 86 | 80 | 0 | 50 | 1.31 | 1.13 | 2 | 1 | 1.08 | 1.8 | 1.89 | 2.38 | 2.17 | 1.91 | 3.38 | 2.27 | 3.45 | 2.27 | 3.38 | 3.25 | 2 | 0 | 0 | 1 | 1 | 62.50 | 1 | 0 | 0.66 | 0.01 | 0.6 | 0.02 | 0.56 | 0.02 | 0.53 | 0.02 | 0.41 | 0.03 | 0.47 | 0.02 | 0.42 | 0.03 | 0.37 | 0.04 | 0.37 | 0.04 | 0.31 | 0.04 | 0.26 | 0.06 | 0.3 | 0.05 |
8682 | exec - create_atoms.cpp:1467-1614 [...] | LAMMPS_NS::CreateAtoms::loop_lattice(int) | InBetween | 0.02 | 0.02 | 0.02 | 0.03 | 0.03 | 0.03 | 0.04 | 0.04 | 0.03 | 0.05 | 0.05 | 0.04 | 0.06 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.02 | 0.56 | 0.09 | 0.05 | 0.05 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.56 | 0.09 | 0.05 | 0.05 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.03 | 0.02 | 0.03 | 0.56 | 0.07 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.56 | 0.07 | 0.04 | 0.03 | 0.02 | 0.02 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 0.01 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 54 | 62 | 64 | 73 | 69 | 78 | 8.2 | 48.36 | 2.38 | 1 | 1.27 | 1 | 1.23 | 1.42 | 1.73 | 1.36 | 1.76 | 2.18 | 2.82 | 1.95 | 2.44 | 2.92 | 2.16 | 2.69 | NA | NA | NA | NA | NA | 0.00 | 1 | 0 | 0.96 | 0 | 0.9 | 0 | 0.9 | 0 | 0.79 | 0 | 0.82 | 0 | 0.85 | 0 | 0.97 | 0 | 0.88 | 0 | 0.85 | 0 | 0.89 | 0 | 0.87 | 0 | 0.77 | 0 |
2024 | exec - pair.cpp:1761-1767 | LAMMPS_NS::Pair::virial_fdotr_compute() | Single | 0.02 | 0.02 | 0.03 | 0.03 | 0.04 | 0.05 | 0.05 | 0.07 | 0.07 | 0.08 | 0.09 | 0.09 | 0.09 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.04 | 0.06 | 0.06 | 0.06 | 0.06 | 0.07 | 0.08 | 0.02 | 0.02 | 0.02 | 0.02 | 0.03 | 0.04 | 0.04 | 0.06 | 0.06 | 0.06 | 0.06 | 0.07 | 0.08 | 0.54 | 0.11 | 0.06 | 0.04 | 0.04 | 0.05 | 0.04 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.54 | 0.11 | 0.06 | 0.04 | 0.04 | 0.05 | 0.04 | 0.05 | 0.05 | 0.04 | 0.04 | 0.04 | 0.04 | 0.55 | 0.09 | 0.05 | 0.04 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.55 | 0.09 | 0.05 | 0.04 | 0.03 | 0.04 | 0.03 | 0.04 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 1 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 50 | 1.11 | 1.05 | 2 | 1 | 1.15 | 1.31 | 1.21 | 1.4 | 1.24 | 1.22 | 1.21 | 1.29 | 1.26 | 1.41 | 1.24 | 1.24 | 3 | 0 | 0 | 2 | 0 | 80.00 | 1 | 0 | 0.75 | 0.01 | 0.74 | 0.01 | 0.61 | 0.01 | 0.53 | 0.01 | 0.34 | 0.03 | 0.34 | 0.03 | 0.26 | 0.04 | 0.24 | 0.04 | 0.24 | 0.05 | 0.21 | 0.05 | 0.19 | 0.06 | 0.18 | 0.06 |
19157 | exec - pair_eam.cpp:965-966 | LAMMPS_NS::PairEAM::pack_reverse_comm(int, int, double*) | Outermost | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 50 | 1 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | NA | NA | NA | NA | NA | 0.00 | | | | | | | | | | | | | | | | | | | | | | | 1 | 0 | | |
12003 | exec - stl_tree.h:1947-1948 [...] | std::map<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char> >, LAMMPS_NS::KSpace* (*)(LAMMPS_NS::LAMMPS*), std::less<std::__cxx11::basic_string<char, std::char_traits<char>, std::allocator<char... | Single | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 50 | 1 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | NA | NA | NA | NA | NA | 0.00 | | | | | | | | | | | | | | | | | | | | | | | 1 | 0 | | |
5846 | exec - atom_vec.cpp:362-366 | LAMMPS_NS::AtomVec::pack_comm(int, int*, double*, int, int*) | Single | 0.00 | 0.05 | 0.11 | 0.12 | 0.16 | 0.19 | 0.21 | 0.31 | 0.23 | 0.31 | 0.32 | 0.50 | 0.45 | 0.00 | 0.04 | 0.08 | 0.08 | 0.11 | 0.14 | 0.12 | 0.19 | 0.17 | 0.20 | 0.20 | 0.31 | 0.26 | 0.00 | 0.04 | 0.08 | 0.08 | 0.11 | 0.14 | 0.12 | 0.19 | 0.17 | 0.20 | 0.20 | 0.31 | 0.26 | 0.00 | 0.20 | 0.25 | 0.19 | 0.18 | 0.18 | 0.17 | 0.21 | 0.15 | 0.17 | 0.17 | 0.23 | 0.19 | 0.00 | 0.20 | 0.25 | 0.19 | 0.18 | 0.18 | 0.17 | 0.21 | 0.15 | 0.17 | 0.17 | 0.23 | 0.19 | 0.00 | 0.17 | 0.17 | 0.13 | 0.12 | 0.13 | 0.10 | 0.13 | 0.10 | 0.11 | 0.10 | 0.14 | 0.11 | 0.00 | 0.17 | 0.17 | 0.13 | 0.12 | 0.13 | 0.10 | 0.13 | 0.10 | 0.11 | 0.10 | 0.14 | 0.11 | 0 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 80 | 88 | 96 | 0 | 50 | 1.31 | 1 | 2 | 0 | 1.12 | 1.49 | 1.46 | 1.52 | 1.41 | 1.7 | 1.68 | 1.42 | 1.56 | 1.62 | 1.63 | 1.77 | 2 | 0 | 0 | 1 | 1 | 62.50 | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
19196 | exec - pair_eam.cpp:708-721 | LAMMPS_NS::PairEAM::file2array() | Innermost | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 7.14 | 50 | 2.73 | 1.74 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 2 | 0 | 0 | 1 | 0 | 83.33 | | | | | | | | | | | | | | | | | | | | | | | | | 1 | 0 |
5969 | exec - atom_vec.cpp:804-811 [...] | LAMMPS_NS::AtomVec::pack_border(int, int*, double*, int, int*) | Single | 0.00 | 0.02 | 0.04 | 0.05 | 0.06 | 0.08 | 0.06 | 0.09 | 0.09 | 0.08 | 0.14 | 0.17 | 0.15 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.05 | 0.05 | 0.06 | 0.09 | 0.07 | 0.00 | 0.01 | 0.02 | 0.03 | 0.03 | 0.04 | 0.04 | 0.05 | 0.05 | 0.05 | 0.06 | 0.09 | 0.07 | 0.00 | 0.09 | 0.09 | 0.08 | 0.07 | 0.07 | 0.05 | 0.06 | 0.06 | 0.04 | 0.07 | 0.07 | 0.06 | 0.00 | 0.09 | 0.09 | 0.08 | 0.07 | 0.07 | 0.05 | 0.06 | 0.06 | 0.04 | 0.07 | 0.07 | 0.06 | 0.00 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.04 | 0.03 | 0.00 | 0.05 | 0.05 | 0.04 | 0.03 | 0.03 | 0.03 | 0.03 | 0.03 | 0.02 | 0.03 | 0.04 | 0.03 | 0 | 8 | 16 | 24 | 32 | 40 | 48 | 56 | 64 | 72 | 79 | 88 | 95 | 0 | 52.78 | 2.08 | 1 | 1.5 | 0 | 1.7 | 1.73 | 2.01 | 2.1 | 2.26 | 1.76 | 1.84 | 1.68 | 1.83 | 2.34 | 1.78 | 2.11 | 1 | 0 | 0 | 1 | 4 | 25.00 | | | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 | 1 | 0 |
3454 | exec - variable.cpp:905-906 | LAMMPS_NS::Variable::retrieve(char const*) | Single | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.01 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0.00 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 50 | 1 | 1 | 2 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 0 | 1 | 0 | 0 | 0 | 0 | 0 | 0 | 0.00 | | | | | | | | | | | | | | | | | | | | | | | 1 | 0 | | |