Loop id | Source Location | Source Function | Level | Coverage run_0 (%) | Max Time Over Threads run_0 (s) | Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | GFLOPS run_0 | Vectorization Ratio (%) | Vector Length Use (%) | Speedup If No Scalar Integer | Speedup If FP Vectorized | Speedup If Fully Vectorized | Speedup If Perfect Load Balancing run_0 | Stride 0 | Stride 1 | Stride n | Stride Unknown | Stride Indirect |
---|
3641 | dmc.mov1 - basis_fns.f:123-206 [...] | basis_fns | Innermost | 44.91 | 408.59 | 408.59 | 1 | 0.85 | 1.79 | 12.5 | 2.95 | 2.7 | 12.95 | 1 | 4 | 0 | 6 | 14 | 0 |
3640 | dmc.mov1 - basis_fns.f:91-207 [...] | basis_fns | InBetween | 9.79 | 89.08 | 89.08 | 1 | 0.50 | 0 | 11.38 | 4.07 | 1 | 8.14 | 1 | NA | NA | NA | NA | NA |
3642 | dmc.mov1 - basis_fns.f:101-168 [...] | basis_fns | Innermost | 3.95 | 35.98 | 35.98 | 1 | 0.16 | 12.5 | 13.28 | 1 | 1 | 13.26 | 1 | 0 | 0 | 0 | 1 | 0 |
3643 | dmc.mov1 - basis_fns.f:91-163 [...] | basis_fns | Innermost | 1.93 | 17.53 | 17.53 | 1 | 0.18 | 33.33 | 22.4 | 2.32 | 1 | 9.73 | 1 | 3 | 0 | 0 | 1.5 | 0 |
3645 | dmc.mov1 - basis_fns.f:109-130 [...] | basis_fns | Innermost | 1.35 | 12.24 | 12.24 | 1 | 0.51 | 14.29 | 12.95 | 8.18 | 1 | 14.74 | 1 | 1 | 0 | 2 | 14 | 1 |
5504 | dmc.mov1 - | __powr8i4 | Single | 1.25 | 11.41 | 11.41 | 1 | 0.10 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 0 | 0 | 0 | 0 |
3475 | dmc.mov1 - orbitals.f:1193-1197 | orbitalse | Innermost | 0.8 | 7.29 | 7.3 | 1 | 11.29 | 100 | 50 | 1 | 1.45 | 2 | 1 | 0 | 5 | 0 | 0 | 0 |
3425 | dmc.mov1 - orbitals.f:574-584 [...] | orbitals | Innermost | 0.61 | 5.58 | 5.58 | 1 | 18.23 | 100 | 50 | 1 | 1.33 | 2 | 1 | 0 | 6 | 0 | 0 | 0 |
4193 | dmc.mov1 - ewald.f:3573-3581 | cossin_e | Innermost | 0.59 | 5.36 | 5.35 | 1 | 3.16 | 0 | 12.5 | 1 | 1.67 | 8 | 1 | 0 | 0 | 6 | 0 | 0 |
3639 | dmc.mov1 - basis_fns.f:91-212 [...] | basis_fns | InBetween | 0.48 | 4.36 | 4.36 | 1 | 1.56 | 0 | 11.46 | 3.2 | 1 | 11.23 | 1 | NA | NA | NA | NA | NA |
3638 | dmc.mov1 - basis_fns.f:63-228 [...] | basis_fns | Outermost | 0.43 | 3.93 | 3.93 | 1 | 0.24 | 6.45 | 11.34 | 6.85 | 1 | 13.96 | 1 | NA | NA | NA | NA | NA |
3644 | dmc.mov1 - basis_fns.f:83-131 [...] | basis_fns | InBetween | 0.29 | 2.6 | 2.6 | 1 | 0.41 | 0 | 11.33 | 7.83 | 1 | 8.74 | 1 | NA | NA | NA | NA | NA |
3522 | dmc.mov1 - readps_gauss.f:72-86 | gauss_pot | Single | 0.25 | 2.25 | 2.25 | 1 | 0.61 | 14.01 | 13.37 | 1.21 | 1.65 | 6.59 | 1 | 2 | 2.5 | 0 | 0 | 0 |
4506 | dmc.mov1 - jastrow4e.f:79-296 [...] | jastrow4e | Outermost | 0.18 | 1.63 | 1.63 | 1 | 0.83 | 12.78 | 13.08 | 2.15 | 2.17 | 10.04 | 1 | NA | NA | NA | NA | NA |
3646 | dmc.mov1 - basis_fns.f:101-103 | basis_fns | Innermost | 0.16 | 1.43 | 1.43 | 1 | 1.06 | 14.29 | 13.39 | 1 | 1 | 13.26 | 1 | 0 | 0 | 0 | 1 | 0 |
6231 | dmc.mov1 - | for_check_mult_overflow64 | Single | 0.14 | 1.26 | 1.26 | 1 | 0.00 | 0 | 10.91 | 1 | 1 | 11.58 | 1 | 1 | 0 | 0 | 1 | 0 |
3520 | dmc.mov1 - readps_gauss.f:23-49 | getvps_gauss | Outermost | 0.11 | 1.04 | 1.04 | 1 | 0.95 | 18.33 | 17.93 | 3.59 | 2.58 | 10.95 | 1 | 5 | 0 | 0.67 | 16 | 0 |
4264 | dmc.mov1 - distances.f:168-173 | distances | Innermost | 0.11 | 1 | 1 | 1 | 0.96 | 0 | 12.5 | 2.68 | 3.42 | 8 | 1 | 5 | 0 | 0 | 5 | 0 |
4479 | dmc.mov1 - jastrow4.f:80-273 | jastrow_factor4 | InBetween | 0.1 | 0.87 | 0.87 | 1 | 1.10 | 4.88 | 12.46 | 2.36 | 1.78 | 7.18 | 1 | NA | NA | NA | NA | NA |
4475 | dmc.mov1 - jastrow4.f:162-343 [...] | jastrow_factor4 | InBetween | 0.09 | 0.78 | 0.79 | 1 | 1.05 | 20.14 | 16.14 | 2.12 | 1.71 | 5.54 | 1 | NA | NA | NA | NA | NA |
3647 | dmc.mov1 - basis_fns.f:91-98 | basis_fns | Innermost | 0.09 | 0.85 | 0.85 | 1 | 0.02 | 30 | 20 | 2.22 | 1 | 11.87 | 1 | 3 | 0 | 0 | 1.5 | 0 |
4500 | dmc.mov1 - jastrow4e.f:307-356 | jastrow4e | Outermost | 0.08 | 0.69 | 0.69 | 1 | 0.65 | 21.62 | 14.83 | 2.07 | 1.93 | 7.21 | 1 | NA | NA | NA | NA | NA |
3706 | dmc.mov1 - determinante.f:51-52 | determinante | Innermost | 0.06 | 0.58 | 0.58 | 1 | 5.76 | 33.33 | 16.67 | 1 | 1.43 | 6.67 | 1 | 0 | 2 | 0 | 0 | 2 |
4135 | dmc.mov1 - ewald.f:2041-2042 | vsrange | Single | 0.05 | 0.44 | 0.44 | 1 | 0.39 | 0 | 12.5 | 1 | 3.69 | 8 | 1 | 0 | 1 | 0 | 0 | 0 |
3700 | dmc.mov1 - determinante.f:47-56 | determinante | InBetween | 0.05 | 0.49 | 0.49 | 1 | 1.96 | 23.53 | 13.24 | 3.36 | 3.57 | 13.54 | 1 | NA | NA | NA | NA | NA |
2232 | dmc.mov1 - nonloc.f:134-287 [...] | nonloc | InBetween | 0.05 | 0.42 | 0.43 | 1 | 0.00 | 5.08 | 10.62 | 7.83 | 2.17 | 21.77 | 1 | NA | NA | NA | NA | NA |
3403 | dmc.mov1 - orbitals.f:568-584 [...] | orbitals | InBetween | 0.05 | 0.47 | 0.47 | 1 | 10.36 | 25.42 | 15.25 | 2.9 | 4 | 12.97 | 1 | NA | NA | NA | NA | NA |
4191 | dmc.mov1 - ewald.f:2739-2745 | pot_en_coul_ewald | Innermost | 0.05 | 0.5 | 0.5 | 1 | 0.38 | 5 | 13.13 | 4.2 | 2.82 | 8 | 1 | 1 | 0 | 0 | 10 | 1 |
6903 | dmc.mov1 - | __intel_avx_rep_memcpy | Single | 0.04 | 0.35 | 0.35 | 1 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 2 | 0 | 0 | 0 |
3521 | dmc.mov1 - readps_gauss.f:39-48 | getvps_gauss | Innermost | 0.04 | 0.4 | 0.4 | 1 | 2.18 | 38.46 | 24.52 | 4.86 | 3.32 | 9.98 | 1 | 6 | 0 | 0 | 6 | 0 |
3473 | dmc.mov1 - orbitals.f:1188-1197 | orbitalse | Outermost | 0.04 | 0.38 | 0.38 | 1 | 7.26 | 27.27 | 15.11 | 2.29 | 2.67 | 11.04 | 1 | NA | NA | NA | NA | NA |
2146 | dmc.mov1 - jassav.f:32-38 | jassav | Innermost | 0.04 | 0.36 | 0.36 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 4 | 0 |
4583 | dmc.mov1 - detsav.f:47-48 | detsav | Innermost | 0.03 | 0.24 | 0.24 | 1 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 2 | 0 | 0 | 0 |
4200 | dmc.mov1 - ewald.f:3561-3565 | cossin_e | Innermost | 0.03 | 0.3 | 0.3 | 1 | 1.30 | 20 | 15 | 1 | 2 | 7.47 | 1 | 1 | 4 | 0 | 0 | 0 |
4279 | dmc.mov1 - distances.f:29-32 | distances | Single | 0.03 | 0.26 | 0.26 | 1 | 0.00 | 7.14 | 13.39 | 3.6 | 1 | 7.2 | 1 | 1 | 0 | 7 | 4 | 0 |
418 | dmc.mov1 - walksav_jas.f:96-103 | walkstrjas | Innermost | 0.02 | 0.2 | 0.2 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 0 | 6 |
412 | dmc.mov1 - walksav_jas.f:53-60 | walksav_jas | Innermost | 0.02 | 0.2 | 0.2 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 0 | 6 |
3703 | dmc.mov1 - determinante.f:55-56 | determinante | Innermost | 0.02 | 0.21 | 0.21 | 1 | 0.05 | 100 | 50 | 1 | 1.13 | 2 | 1 | 0 | 3 | 0 | 0 | 0 |
4208 | dmc.mov1 - ewald.f:2945-2952 | pot_ee_ewald | Innermost | 0.02 | 0.18 | 0.18 | 1 | 0.56 | 0 | 12.5 | 3.13 | 2.13 | 8 | 1 | 1 | 1 | 0 | 4 | 2 |
3724 | dmc.mov1 - determinante.f:318-321 | determinante_ref_grad | Single | 0.02 | 0.15 | 0.15 | 1 | 2.13 | 40 | 17.5 | 1 | 1.2 | 6.69 | 1 | 0 | 2 | 0 | 0 | 6 |
93 | dmc.mov1 - dmc_ps_mov1.f:265-432 [...] | dmc_ps | InBetween | 0.02 | 0.19 | 0.18 | 1 | 0.22 | 4.09 | 12.08 | 3.39 | 1.51 | 6.78 | 1 | NA | NA | NA | NA | NA |
4263 | dmc.mov1 - distances.f:185-193 | distances | Innermost | 0.02 | 0.18 | 0.18 | 1 | 1.11 | 0 | 11.61 | 2.4 | 2 | 12 | 1 | 3 | 1 | 0 | 2 | 1 |
4058 | dmc.mov1 - ewald.f:1442-1448 | fourier_it | Outermost | 0.02 | 0.2 | 0.2 | 1 | 6.20 | 31.58 | 16.45 | 2.27 | 1.56 | 9.38 | 1 | NA | NA | NA | NA | NA |
3648 | dmc.mov1 - basis_fns.f:71-71 | basis_fns | Innermost | 0.02 | 0.2 | 0.2 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 0 | 0 |
3727 | dmc.mov1 - nonloc_pot.f:41-85 [...] | nonloc_pot | Innermost | 0.02 | 0.14 | 0.14 | 1 | 0.50 | 0 | 10.94 | 1.92 | 1.84 | 12.57 | 1 | 4 | 1 | 0 | 1 | 0 |
4276 | dmc.mov1 - distances.f:38-44 | distances | Single | 0.01 | 0.08 | 0.08 | 1 | 0.00 | 25 | 15.63 | 7 | 1 | 7 | 1 | 1 | 1 | 2 | 23 | 0 |
339 | dmc.mov1 - walksav_det.f:187-190 | walkstrdet | Innermost | 0.01 | 0.06 | 0.06 | 1 | 0.00 | 33.33 | 16.67 | 1.33 | 1 | 7.11 | 1 | 0 | 1 | 0 | 2 | 0 |
4562 | dmc.mov1 - detsav.f:95-99 | detsav | Innermost | 0.01 | 0.1 | 0.1 | 1 | 0.00 | 77.78 | 22.22 | 1 | 1 | 5 | 1 | 0 | 7 | 0 | 2 | 0 |
4568 | dmc.mov1 - detsav.f:85-88 | detsav | Innermost | 0.01 | 0.06 | 0.06 | 1 | 0.00 | 8.33 | 12.5 | 3 | 1 | 8 | 1 | 1 | 1 | 0 | 4 | 6 |
129 | dmc.mov1 - hpsiedmc.f:33-34 | psiedmc | Single | 0.01 | 0.05 | 0.05 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 1 | 0 |
2142 | dmc.mov1 - jassav.f:52-53 | jassav | Innermost | 0.01 | 0.08 | 0.08 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 2 | 0 |
4273 | dmc.mov1 - distances.f:49-58 | distances | Single | 0.01 | 0.12 | 0.12 | 1 | 0.00 | 0 | 11.03 | 1 | 1 | 10.5 | 1 | 1 | 0 | 4 | 1 | 2 |
4192 | dmc.mov1 - ewald.f:3570-3581 | cossin_e | Outermost | 0.01 | 0.08 | 0.08 | 1 | 3.25 | 0 | 10.42 | 1.74 | 1 | 13.35 | 1 | 1.5 | 0.5 | 3 | 1.5 | 0 |
4282 | dmc.mov1 - distances.f:273-290 | distancese_restore | Single | 0.01 | 0.05 | 0.05 | 1 | 0.00 | 0 | 8.59 | 1 | 1 | 13.34 | 1 | 0 | 0 | 0 | 2 | 0 |
2238 | dmc.mov1 - nonloc.f:139-140 | nonloc | Innermost | 0.01 | 0.07 | 0.07 | 1 | 0.00 | 16.67 | 11.46 | 1.5 | 1 | 13.33 | 1 | 1 | 0 | 0 | 1 | 0 |
307 | dmc.mov1 - walksav_det.f:117-120 | walksav_det | Innermost | 0.01 | 0.12 | 0.12 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 3 | 0 | 1 | 0 |
4060 | dmc.mov1 - ewald.f:1443-1448 | fourier_it | Innermost | 0.01 | 0.05 | 0.05 | 1 | 9.20 | 36.84 | 22.37 | 1 | 1 | 5.45 | 1 | 1 | 0 | 0 | 1 | 0 |
4261 | dmc.mov1 - distances.f:22-211 [...] | distances | Single | 0.01 | 0.11 | 0.11 | 1 | 1.00 | 0 | 10.55 | 3 | 2.54 | 12.8 | 1 | 4 | 1 | 0 | 3 | 0 |
323 | dmc.mov1 - walksav_det.f:81-85 | walksav_det | Single | 0.01 | 0.05 | 0.05 | 1 | 0.00 | 16.67 | 14.58 | 7 | 1 | 7 | 1 | 1 | 1 | 0 | 9 | 0 |
4260 | dmc.mov1 - distances.f:216-224 | distances | Single | 0.01 | 0.12 | 0.12 | 1 | 1.00 | 0 | 10.42 | 2.81 | 2.74 | 13.18 | 1 | 4 | 1 | 0 | 3 | 0 |
3698 | dmc.mov1 - determinante.f:60-61 | determinante | Innermost | 0.01 | 0.05 | 0.05 | 1 | 0.80 | 100 | 50 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 |
2150 | dmc.mov1 - jassav.f:18-19 | jassav | Innermost | 0.01 | 0.09 | 0.09 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 2 | 0 |
4059 | dmc.mov1 - ewald.f:1443-1448 | fourier_it | Innermost | 0.01 | 0.06 | 0.06 | 1 | 2.67 | 100 | 46.43 | 1.38 | 1.29 | 2.57 | 1 | 2 | 1 | 0 | 0 | 0 |
2746 | dmc.mov1 - jastrowe.f:44-45 | jastrowe | Innermost | 0.01 | 0.1 | 0.1 | 1 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 1 | 0 |