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 | Speedup If Data in L1 run_0 |
---|
3357 | exec - basis_fns.f90:109-130 [...] | basis_fns | Innermost | 8.25 | 2.29 | 2.08 | 52 | 17.30 | 7.14 | 12.95 | 7 | 1 | 15.15 | 1.1 | 1 | 0 | 0 | 10 | 0 | NA |
3140 | exec - orbitals.f90:94-578 [...] | orbitals | Innermost | 7.25 | 1.97 | 1.83 | 52 | 820.62 | 100 | 50 | 1 | 1.33 | 2 | 1.08 | 0 | 6 | 0 | 0 | 0 | NA |
4419 | exec - optjas.f90:44-120 [...] | optjas_deloc | InBetween | 3.51 | 1.02 | 0.89 | 52 | 124.08 | 90.2 | 41.5 | 1.04 | 1.47 | 2.99 | 1.15 | NA | NA | NA | NA | NA | NA |
2424 | exec - nonloc.f90:795-796 | orbitals_quad | Innermost | 3.37 | 0.95 | 0.85 | 52 | 658.80 | 100 | 50 | 1.37 | 1.44 | 2 | 1.12 | 0 | 2 | 1 | 0 | 0 | NA |
3224 | exec - orbitals.f90:807-1190 [...] | orbitalse | Innermost | 3.09 | 0.95 | 0.78 | 52 | 797.98 | 100 | 50 | 1 | 1.45 | 2 | 1.22 | 0 | 5 | 0 | 0 | 0 | NA |
2671 | exec - multideterminant.f90:100-159 [...] | multideterminant_hpsi | InBetween | 2.59 | 0.74 | 0.66 | 52 | 132.68 | 89.32 | 40.86 | 1.05 | 1.55 | 3.15 | 1.14 | NA | NA | NA | NA | NA | NA |
7948 | exec - | __powidf2 | Innermost | 2.26 | 0.7 | 0.57 | 52 | 17.46 | 0 | 12.5 | 1 | 8 | 8 | 1.23 | 0 | 0 | 0 | 0 | 0 | NA |
3358 | exec - basis_fns.f90:102-103 | basis_fns | Innermost | 1.49 | 0.48 | 0.38 | 52 | 11.45 | 16.67 | 13.54 | 1 | 1 | 14.61 | 1.26 | 0 | 0 | 0 | 1 | 0 | NA |
7947 | exec - | __powidf2 | Outermost | 1.3 | 0.43 | 0.33 | 52 | 16.27 | 0 | 6.25 | 1 | 1 | 16 | 1.3 | 0 | 0 | 0 | 0 | 0 | NA |
2616 | exec - multideterminante.f90:259-260 | multideterminante_grad | Innermost | 1.27 | 0.44 | 0.32 | 52 | 134.78 | 80 | 40 | 1.11 | 1.18 | 2.61 | 1.38 | 0 | 1 | 0 | 0 | 1 | NA |
3138 | exec - orbitals.f90:94-579 [...] | orbitals | InBetween | 0.89 | 0.29 | 0.22 | 52 | 616.36 | 25.08 | 15.49 | 1.75 | 1.93 | 9.09 | 1.32 | 1 | 1 | 2.75 | 5.25 | 0 | NA |
4527 | exec - optorb.f90:71-73 | optorb_deriv | Innermost | 0.87 | 0.3 | 0.22 | 52 | 39.09 | 88.89 | 43.06 | 1.11 | 1.15 | 2.45 | 1.36 | 0 | 1 | 0 | 0 | 3 | NA |
2623 | exec - multideterminante.f90:220-249 [...] | multideterminante_grad | InBetween | 0.73 | 0.24 | 0.18 | 52 | 296.89 | 52.91 | 24.02 | 1.59 | 2.06 | 7.09 | 1.33 | NA | NA | NA | NA | NA | NA |
4523 | exec - optorb.f90:39-87 [...] | optorb_deriv | InBetween | 0.7 | 0.24 | 0.18 | 52 | 130.67 | 43.14 | 20.34 | 2.79 | 3.1 | 9.56 | 1.33 | NA | NA | NA | NA | NA | NA |
2614 | exec - multideterminante.f90:220-261 [...] | multideterminante_grad | InBetween | 0.68 | 0.23 | 0.17 | 52 | 56.41 | 14.65 | 13.49 | 1 | 1.42 | 10.13 | 1.35 | 1.5 | 0 | 0 | 1.5 | 0 | NA |
3359 | exec - basis_fns.f90:93-98 | basis_fns | Innermost | 0.64 | 0.25 | 0.16 | 52 | 61.94 | 21.21 | 15.63 | 2.36 | 1 | 11.01 | 1.56 | 1 | 0 | 0 | 2.5 | 0 | NA |
2687 | exec - multideterminant.f90:354-357 | compute_ymat | Innermost | 0.55 | 0.2 | 0.14 | 52 | 73.57 | 100 | 43.27 | 1.11 | 1.11 | 2.27 | 1.43 | 0 | 1 | 1 | 0 | 14 | NA |
2345 | exec - deriv_nonloc.f90:324-449 [...] | deriv_nonlocj_quad4 | InBetween | 0.43 | 0.18 | 0.11 | 52 | 13.36 | 15.52 | 12.82 | 2.73 | 2.51 | 11.79 | 1.64 | NA | NA | NA | NA | NA | NA |
4418 | exec - optjas.f90:88-120 [...] | optjas_deloc | Innermost | 0.42 | 0.17 | 0.11 | 52 | 118.18 | 88.64 | 42.9 | 1.07 | 1.2 | 2.48 | 1.55 | 0 | 5 | 0 | 0 | 5 | NA |
2615 | exec - multideterminante.f90:259-260 | multideterminante_grad | Innermost | 0.4 | 0.16 | 0.1 | 52 | 22.80 | 0 | 12.5 | 1 | 2.91 | 8 | 1.6 | 0 | 1 | 0 | 1 | 0 | NA |
3222 | exec - orbitals.f90:807-1191 [...] | orbitalse | Outermost | 0.4 | 0.16 | 0.1 | 52 | 551.70 | 26.37 | 15.63 | 1.66 | 2.11 | 9.15 | 1.6 | 1 | 0 | 0 | 7.5 | 0 | NA |
4320 | exec - jastrow4e.f90:55-296 [...] | jastrow4e | Outermost | 0.38 | 0.16 | 0.1 | 52 | 60.30 | 16.75 | 14.69 | 2.43 | 2.6 | 10.75 | 1.6 | NA | NA | NA | NA | NA | NA |
7853 | exec - | __intel_avx_rep_memset | Single | 0.33 | 0.12 | 0.08 | 52 | 0.63 | 100 | 50 | 1 | 1 | 2 | 1.5 | 0 | 1 | 0 | 0 | 0 | NA |
2443 | exec - nonloc.f90:1192-1195 | nonlocj_quad4 | Innermost | 0.32 | 0.12 | 0.08 | 52 | 6.00 | 0 | 11.98 | 2.88 | 1.84 | 11.15 | 1.5 | 1 | 0 | 0 | 2 | 0 | NA |
4525 | exec - optorb.f90:82-84 | optorb_deriv | Innermost | 0.31 | 0.15 | 0.08 | 52 | 31.88 | 89.29 | 43.3 | 1.08 | 1.12 | 2.33 | 1.88 | 0 | 1 | 0 | 0 | 2 | NA |
2626 | exec - multideterminante.f90:243-244 | multideterminante_grad | Innermost | 0.31 | 0.13 | 0.08 | 52 | 68.25 | 100 | 46.15 | 1.17 | 1.17 | 2.44 | 1.63 | 0 | 3 | 2 | 0 | 2 | NA |
3356 | exec - basis_fns.f90:71-131 [...] | basis_fns | InBetween | 0.31 | 0.13 | 0.08 | 52 | 19.88 | 0 | 11.46 | 2.46 | 1.48 | 7.38 | 1.63 | NA | NA | NA | NA | NA | NA |
2405 | exec - nonloc.f90:379-386 | distance_quad | Single | 0.3 | 0.12 | 0.08 | 52 | 20.25 | 23.08 | 15.38 | 1 | 1.5 | 2 | 1.5 | 0 | 0 | 0 | 3 | 0 | NA |
2605 | exec - multideterminante.f90:61-63 | multideterminante | Innermost | 0.3 | 0.12 | 0.08 | 52 | 279.63 | 100 | 50 | 1 | 1 | 2 | 1.5 | 0 | 4 | 4 | 0 | 0 | NA |
2670 | exec - multideterminant.f90:107-113 | multideterminant_hpsi | Innermost | 0.29 | 0.11 | 0.07 | 52 | 111.86 | 98.08 | 46.88 | 1.07 | 1.22 | 2.34 | 1.57 | 0 | 4 | 0 | 0 | 3 | NA |
2686 | exec - multideterminant.f90:353-357 | compute_ymat | Innermost | 0.29 | 0.13 | 0.07 | 52 | 73.00 | 0 | 12.5 | 1.25 | 1.52 | 8 | 1.86 | 0 | 1 | 1 | 4 | 0 | NA |
4526 | exec - optorb.f90:71-73 | optorb_deriv | Innermost | 0.28 | 0.1 | 0.07 | 52 | 106.86 | 0 | 12.5 | 1 | 2.58 | 8 | 1.43 | 0 | 1 | 0 | 3 | 0 | NA |
7852 | exec - | __intel_avx_rep_memcpy | Single | 0.27 | 0.11 | 0.07 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.57 | 0 | 2 | 0 | 0 | 0 | NA |
2725 | exec - multideterminant.f90:626-629 | compute_zmat | Innermost | 0.26 | 0.1 | 0.07 | 52 | 115.57 | 92.31 | 44.23 | 1.07 | 1.14 | 2.32 | 1.43 | 0 | 1 | 0 | 0 | 3 | NA |
3397 | exec - determinant.f90:276-279 | compute_bmatrices_kin | Innermost | 0.24 | 0.11 | 0.06 | 52 | 170.67 | 100 | 50 | 1 | 1.47 | 2 | 1.83 | 0 | 4 | 0 | 0 | 0 | NA |
3350 | exec - basis_fns.f90:62-228 [...] | basis_fns | Outermost | 0.24 | 0.1 | 0.06 | 52 | 0.17 | 8.21 | 11.99 | 6.07 | 1 | 9.48 | 1.67 | NA | NA | NA | NA | NA | NA |
2442 | exec - nonloc.f90:1092-1199 [...] | nonlocj_quad4 | InBetween | 0.24 | 0.1 | 0.06 | 52 | 19.67 | 13.43 | 12.59 | 3.28 | 2.17 | 7.7 | 1.67 | NA | NA | NA | NA | NA | NA |
2349 | exec - deriv_nonloc.f90:398-403 | deriv_nonlocj_quad4 | Innermost | 0.23 | 0.1 | 0.06 | 52 | 9.50 | 9.09 | 13.03 | 1.81 | 1.88 | 11.38 | 1.67 | 1.5 | 1 | 0 | 4 | 0 | NA |
4522 | exec - optorb.f90:39-94 [...] | optorb_deriv | Outermost | 0.22 | 0.1 | 0.06 | 52 | 195.33 | 15.38 | 14.18 | 2.95 | 1.34 | 10.73 | 1.67 | NA | NA | NA | NA | NA | NA |
2604 | exec - multideterminante.f90:37-63 [...] | multideterminante | InBetween | 0.22 | 0.1 | 0.06 | 52 | 314.00 | 19.47 | 14.93 | 1.82 | 1 | 7.58 | 1.67 | 1 | 0 | 0 | 14.67 | 0 | NA |
6115 | exec - metrop_mov1_slat.f90:145-785 [...] | metrop6 | Outermost | 0.2 | 0.1 | 0.05 | 52 | 35.20 | 14.45 | 13.34 | 2.75 | 2.17 | 5.5 | 2 | NA | NA | NA | NA | NA | NA |
2719 | exec - multideterminant.f90:610-642 [...] | compute_zmat | InBetween | 0.2 | 0.09 | 0.05 | 52 | 170.40 | 77.56 | 39.12 | 1.46 | 1.37 | 3.72 | 1.8 | NA | NA | NA | NA | NA | NA |
2572 | exec - multideterminante.f90:166-169 | multideterminante | Innermost | 0.19 | 0.1 | 0.05 | 52 | 37.80 | 0 | 12.5 | 1 | 1.78 | 8 | 2 | 0 | 2 | 0 | 4 | 1 | NA |
2422 | exec - nonloc.f90:460-797 [...] | orbitals_quad | InBetween | 0.19 | 0.09 | 0.05 | 52 | 473.80 | 28.81 | 16.01 | 1.69 | 1.23 | 7.02 | 1.8 | 1 | 0 | 0 | 6.25 | 0 | NA |
4417 | exec - optjas.f90:44-120 [...] | optjas_deloc | InBetween | 0.18 | 0.08 | 0.05 | 52 | 72.20 | 38.8 | 17.35 | 2.06 | 1.95 | 6.85 | 1.6 | 3 | 0 | 0 | 9.67 | 0 | NA |
4387 | exec - optjas.f90:128-131 | optjas_deloc | Innermost | 0.18 | 0.07 | 0.04 | 52 | 0.00 | 100 | 42.5 | 1.06 | 1 | 2.73 | 1.75 | 0 | 2 | 0 | 0 | 1 | NA |
2669 | exec - multideterminant.f90:100-159 [...] | multideterminant_hpsi | InBetween | 0.18 | 0.07 | 0.04 | 52 | 309.75 | 40.72 | 19.77 | 2.38 | 2.36 | 8.49 | 1.75 | 3 | 0 | 0 | 12.33 | 0.67 | NA |
2682 | exec - multideterminant.f90:376-380 | compute_ymat | Single | 0.18 | 0.09 | 0.05 | 52 | 24.40 | 0 | 12.5 | 1.62 | 2.13 | 8 | 1.8 | 1 | 1 | 0 | 11 | 0 | NA |
2624 | exec - multideterminante.f90:247-248 | multideterminante_grad | Innermost | 0.17 | 0.09 | 0.04 | 52 | 277.00 | 100 | 50 | 1 | 1 | 2 | 2.25 | 0 | 2 | 1 | 0 | 0 | NA |
2625 | exec - multideterminante.f90:243-244 | multideterminante_grad | Innermost | 0.16 | 0.07 | 0.04 | 52 | 323.75 | 0 | 12.5 | 1 | 1.1 | 8 | 1.75 | 0 | 9 | 0 | 0 | 1 | NA |
3139 | exec - orbitals.f90:94-578 [...] | orbitals | Innermost | 0.16 | 0.07 | 0.04 | 52 | 401.75 | 0 | 12.5 | 1 | 1.33 | 8 | 1.75 | 0 | 6 | 0 | 0 | 0 | NA |
2594 | exec - multideterminante.f90:61-63 | multideterminante | Innermost | 0.16 | 0.07 | 0.04 | 52 | 309.00 | 0 | 12.5 | 1 | 2 | 8 | 1.75 | 0 | 8 | 0 | 0 | 0 | NA |
2591 | exec - multideterminante.f90:72-77 | multideterminante | Innermost | 0.15 | 0.08 | 0.04 | 52 | 14.00 | 94.74 | 41.89 | 1.07 | 1.1 | 1.48 | 2 | 0 | 2 | 0 | 1 | 5 | NA |
4357 | exec - detsav.f90:53-54 | detsav | Innermost | 0.14 | 0.06 | 0.04 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.5 | 0 | 0 | 0 | 6 | 0 | NA |
2495 | exec - deriv_jastrow4.f90:76-488 [...] | deriv_jastrow4 | Outermost | 0.14 | 0.07 | 0.04 | 52 | 54.50 | 7.59 | 12.87 | 2.89 | 1.43 | 9.16 | 1.75 | NA | NA | NA | NA | NA | NA |
2680 | exec - multideterminant.f90:406-420 | compute_ymat | Single | 0.13 | 0.06 | 0.03 | 52 | 61.67 | 0 | 12.5 | 1.65 | 1.97 | 8 | 2 | 1 | 5 | 0 | 5 | 0 | NA |
7174 | exec - | for_check_mult_overflow64 | Single | 0.12 | 0.07 | 0.03 | 52 | 0.00 | 0 | 10.72 | 1 | 1 | 11.89 | 2.33 | 1 | 0 | 0 | 1 | 0 | NA |
2602 | exec - multideterminante.f90:37-63 [...] | multideterminante | InBetween | 0.12 | 0.06 | 0.03 | 52 | 448.00 | 0 | 12.2 | 3.02 | 1 | 10.03 | 2 | 1 | 0 | 0 | 7.67 | 0 | NA |
2601 | exec - multideterminante.f90:61-63 | multideterminante | Innermost | 0.12 | 0.07 | 0.03 | 52 | 125.00 | 0 | 12.5 | 1 | 1 | 8 | 2.33 | 0 | 5 | 0 | 0 | 0 | NA |
3143 | exec - orbitals.f90:562-579 [...] | orbitals | Innermost | 0.12 | 0.05 | 0.03 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.67 | 0 | 0 | 0 | 1 | 0 | NA |
2421 | exec - nonloc.f90:795-796 | orbitals_quad | Innermost | 0.12 | 0.06 | 0.03 | 52 | 237.00 | 100 | 50 | 1 | 1.54 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
3137 | exec - orbitals.f90:580-580 | orbitals | Innermost | 0.11 | 0.05 | 0.03 | 52 | 3.67 | 80 | 42.5 | 1.03 | 1 | 2.95 | 1.67 | 0 | 1 | 0 | 0 | 1 | NA |
4054 | exec - distances.f90:72-81 | distances | Innermost | 0.11 | 0.05 | 0.03 | 52 | 21.67 | 23.08 | 15.38 | 1 | 1.5 | 2 | 1.67 | 0 | 0 | 0 | 3 | 0 | NA |
2375 | exec - nonloc.f90:258-259 | nonloc | Innermost | 0.1 | 0.06 | 0.02 | 52 | 167.00 | 100 | 50 | 1 | 1.41 | 2 | 3 | 0 | 2 | 0 | 0 | 0 | NA |
382 | exec - m_ewald.f90:223-223 | allocate_periodic | Innermost | 0.1 | 0.04 | 0.02 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2724 | exec - multideterminant.f90:610-630 [...] | compute_zmat | InBetween | 0.1 | 0.05 | 0.02 | 52 | 226.50 | 39.71 | 17.46 | 2.69 | 1.84 | 7.33 | 2.5 | 2.33 | 1.33 | 0 | 4.67 | 0 | NA |
4396 | exec - optjas.f90:105-109 | optjas_deloc | Innermost | 0.1 | 0.05 | 0.03 | 52 | 13.33 | 97.32 | 42.75 | 1.07 | 1.14 | 2.53 | 2.5 | 2 | 2 | 0 | 1 | 7 | NA |
2371 | exec - nonloc.f90:273-275 | nonloc | Innermost | 0.1 | 0.05 | 0.03 | 52 | 365.33 | 100 | 50 | 1.09 | 1.09 | 2 | 1.67 | 0 | 2 | 2 | 0 | 0 | NA |
381 | exec - m_ewald.f90:223-223 | allocate_periodic | Innermost | 0.1 | 0.04 | 0.02 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2508 | exec - deriv_jastrow4.f90:194-258 | deriv_jastrow4 | Innermost | 0.09 | 0.06 | 0.02 | 52 | 164.00 | 3.31 | 12.5 | 1.29 | 1.44 | 3.66 | 3 | NA | NA | NA | NA | NA | NA |
2589 | exec - multideterminante.f90:113-134 | multideterminante | Innermost | 0.09 | 0.04 | 0.02 | 51 | 66.00 | 99.26 | 43.8 | 1.08 | 1.23 | 2.68 | 2 | 0 | 1 | 3 | 1 | 8 | NA |
4314 | exec - jastrow4e.f90:55-356 [...] | jastrow4e | Outermost | 0.09 | 0.05 | 0.02 | 51 | 72.00 | 18.42 | 15.5 | 2.5 | 2.26 | 7.29 | 2.5 | NA | NA | NA | NA | NA | NA |
3471 | exec - deriv_nonlpsi.f90:243-257 | deriv_psibnl | Single | 0.09 | 0.05 | 0.02 | 52 | 58.00 | 11.76 | 13.79 | 1.3 | 1.41 | 10.34 | 2.5 | NA | NA | NA | NA | NA | NA |
2351 | exec - deriv_nonloc.f90:390-391 | deriv_nonlocj_quad4 | Innermost | 0.09 | 0.06 | 0.02 | 52 | 39.50 | 85.71 | 42.86 | 1.1 | 1.17 | 2.56 | 3 | 0 | 1 | 0 | 0 | 1 | NA |
4050 | exec - distances.f90:96-105 | distances | Innermost | 0.09 | 0.05 | 0.02 | 52 | 20.00 | 23.08 | 15.38 | 1 | 1.5 | 2 | 2.5 | 0 | 2 | 0 | 1 | 0 | NA |
2369 | exec - nonloc.f90:273-275 | nonloc | Innermost | 0.09 | 0.05 | 0.02 | 52 | 356.00 | 100 | 50 | 1 | 1.5 | 2 | 2.5 | 0 | 2 | 0 | 0 | 0 | NA |
2491 | exec - deriv_jastrow4.f90:76-609 [...] | deriv_jastrow4 | InBetween | 0.09 | 0.06 | 0.02 | 52 | 83.50 | 2.78 | 12.44 | 2.04 | 2.47 | 8.63 | 3 | NA | NA | NA | NA | NA | NA |
4543 | exec - optorb.f90:171-174 | optorb_sum | Innermost | 0.08 | 0.05 | 0.02 | 52 | 88.00 | 100 | 50 | 1 | 1.17 | 2 | 2.5 | 0 | 6 | 0 | 0 | 0 | NA |
2316 | exec - gammai.f90:74-78 | gammai | Single | 0.08 | 0.04 | 0.02 | 52 | 40.00 | 0 | 12.5 | 1 | 8 | 8 | 2 | 0 | 0 | 0 | 0 | 0 | NA |
2567 | exec - multideterminante.f90:37-184 [...] | multideterminante | Outermost | 0.08 | 0.04 | 0.02 | 51 | 19.50 | 10.45 | 14.35 | 4.97 | 1 | 12.72 | 2 | NA | NA | NA | NA | NA | NA |
3223 | exec - orbitals.f90:807-1190 [...] | orbitalse | Innermost | 0.08 | 0.05 | 0.02 | 52 | 775.00 | 0 | 12.5 | 1 | 1.6 | 8 | 2.5 | 0 | 5 | 0 | 0 | 0 | NA |
2603 | exec - multideterminante.f90:61-63 | multideterminante | Innermost | 0.08 | 0.04 | 0.02 | 52 | 161.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 5 | 0 | 0 | 0 | NA |
4053 | exec - distances.f90:118-128 | distances | Single | 0.08 | 0.05 | 0.02 | 51 | 14.00 | 23.08 | 15.38 | 1 | 1.5 | 2 | 2.5 | 0 | 2 | 0 | 1 | 0 | NA |
4052 | exec - distances.f90:133-146 | distances | Single | 0.08 | 0.05 | 0.02 | 52 | 21.00 | 17.65 | 14.71 | 1.38 | 2.06 | 2.75 | 2.5 | 0 | 2 | 0 | 3 | 0 | NA |
2622 | exec - multideterminante.f90:243-244 | multideterminante_grad | Innermost | 0.08 | 0.04 | 0.02 | 52 | 99.00 | 100 | 41.67 | 1.08 | 1.08 | 2.36 | 2 | 0 | 2 | 0 | 0 | 2 | NA |
2618 | exec - multideterminante.f90:220-249 [...] | multideterminante_grad | InBetween | 0.08 | 0.05 | 0.02 | 52 | 150.00 | 34.78 | 17.12 | 2.59 | 2.87 | 10.73 | 2.5 | NA | NA | NA | NA | NA | NA |
4416 | exec - optjas.f90:88-90 | optjas_deloc | Innermost | 0.08 | 0.05 | 0.02 | 52 | 641.50 | 0 | 12.5 | 1 | 1 | 8 | 2.5 | 0 | 5 | 0 | 2 | 0 | NA |
4414 | exec - optjas.f90:88-90 | optjas_deloc | Innermost | 0.08 | 0.04 | 0.02 | 52 | 96.00 | 90.91 | 44.32 | 1.06 | 1.11 | 2.27 | 2 | 0 | 2 | 0 | 0 | 2 | NA |
4388 | exec - optjas.f90:44-123 [...] | optjas_deloc | InBetween | 0.07 | 0.04 | 0.02 | 51 | 20.00 | 60.78 | 34.93 | 1.48 | 1 | 2.71 | 2 | NA | NA | NA | NA | NA | NA |
3473 | exec - deriv_nonlpsi.f90:237-239 | deriv_psibnl | Single | 0.07 | 0.04 | 0.02 | 51 | 36.00 | 0 | 12.5 | 1 | 1.62 | 8 | 2 | 1 | 1 | 0 | 1 | 0 | NA |
4269 | exec - jastrow4.f90:55-273 [...] | jastrow_factor4 | InBetween | 0.07 | 0.04 | 0.02 | 52 | 117.50 | 10.14 | 13.01 | 2 | 2.57 | 11.57 | 2 | NA | NA | NA | NA | NA | NA |
4390 | exec - optjas.f90:119-121 | optjas_deloc | Innermost | 0.07 | 0.05 | 0.02 | 52 | 20.50 | 0 | 12.5 | 1 | 3.76 | 8 | 2.5 | 0 | 1 | 0 | 2 | 0 | NA |
4082 | exec - multiply_slmi_mderiv.f90:33-34 | multiply_slmi_mderiv_simple | Innermost | 0.07 | 0.04 | 0.02 | 51 | 56.50 | 0 | 12.5 | 1 | 1.54 | 8 | 2 | 0 | 1 | 0 | 8 | 0 | NA |
4629 | exec - optorb.f90:991-995 | optorb_define | Innermost | 0.07 | 0.03 | 0.02 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.5 | 0 | 1 | 0 | 0 | 0 | NA |
2600 | exec - multideterminante.f90:37-64 [...] | multideterminante | InBetween | 0.07 | 0.05 | 0.02 | 52 | 286.00 | 0 | 12.34 | 1 | 1 | 11 | 2.5 | NA | NA | NA | NA | NA | NA |
1228 | exec - optwf_sr.f90:502-507 | sr_hs | Innermost | 0.06 | 0.02 | 0.02 | 52 | 125.50 | 0 | 12.5 | 1.14 | 1.33 | 8 | 1 | 0 | 4 | 0 | 0 | 0 | NA |
2423 | exec - nonloc.f90:795-796 | orbitals_quad | Innermost | 0.06 | 0.04 | 0.02 | 52 | 550.50 | 0 | 12.5 | 1.05 | 1.11 | 8 | 2 | 0 | 0 | 0 | 0 | 9 | NA |
4083 | exec - multiply_slmi_mderiv.f90:33-34 | multiply_slmi_mderiv_simple | Innermost | 0.06 | 0.03 | 0.02 | 52 | 181.50 | 0 | 12.5 | 1 | 1 | 8 | 1.5 | 0 | 1 | 0 | 1 | 0 | NA |
4265 | exec - jastrow4.f90:55-336 [...] | jastrow_factor4 | InBetween | 0.06 | 0.06 | 0.01 | 51 | 95.00 | 5.95 | 12.65 | 2.6 | 2.16 | 7 | 6 | NA | NA | NA | NA | NA | NA |
2723 | exec - multideterminant.f90:626-629 | compute_zmat | Innermost | 0.06 | 0.03 | 0.02 | 48 | 21.50 | 0 | 12.5 | 1 | 2.58 | 8 | 1.5 | 0 | 1 | 0 | 3 | 0 | NA |
4652 | exec - get_norbterm.f90:182-186 | get_norbterm | Innermost | 0.06 | 0.03 | 0.02 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.5 | 0 | 1 | 0 | 0 | 0 | NA |
3400 | exec - determinant.f90:263-265 | compute_bmatrices_kin | Innermost | 0.06 | 0.03 | 0.01 | 52 | 532.00 | 100 | 50 | 1 | 1.5 | 2 | 3 | 0 | 5 | 0 | 0 | 0 | NA |
3587 | exec - nonlpsi.f90:196-198 | psibnl | Single | 0.06 | 0.04 | 0.01 | 50 | 31.00 | 0 | 12.5 | 1 | 4.71 | 8 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
4524 | exec - optorb.f90:82-84 | optorb_deriv | Innermost | 0.06 | 0.03 | 0.01 | 51 | 182.00 | 0 | 12.5 | 1 | 2 | 8 | 3 | 0 | 1 | 0 | 3 | 0 | NA |
2612 | exec - multideterminante.f90:52-54 | multideterminante | Innermost | 0.06 | 0.04 | 0.02 | 50 | 0.00 | 84.62 | 42.31 | 1.05 | 1 | 3 | 2 | 0 | 2 | 0 | 0 | 1 | NA |
2493 | exec - deriv_jastrow4.f90:552-607 | deriv_jastrow4 | Innermost | 0.06 | 0.04 | 0.02 | 52 | 67.50 | 2.67 | 12.63 | 1.06 | 1.97 | 2.76 | 2 | 2 | 3 | 0 | 3.75 | 0.25 | NA |
4415 | exec - optjas.f90:44-120 [...] | optjas_deloc | InBetween | 0.06 | 0.04 | 0.02 | 51 | 117.50 | 1.3 | 12.5 | 5.91 | 1 | 8 | 2 | NA | NA | NA | NA | NA | NA |
3252 | exec - readps_gauss.f90:23-49 | getvps_gauss | Outermost | 0.05 | 0.04 | 0.01 | 51 | 157.00 | 21.11 | 14.19 | 3.34 | 1.96 | 11.61 | 4 | 4 | 0 | 7.5 | 4 | 0 | NA |
3396 | exec - determinant.f90:257-280 [...] | compute_bmatrices_kin | InBetween | 0.05 | 0.04 | 0.01 | 50 | 236.00 | 18.2 | 19.16 | 2.82 | 1.32 | 8.08 | 4 | 0.75 | 0 | 0 | 4.25 | 0 | NA |
2363 | exec - nonloc.f90:77-320 [...] | nonloc | InBetween | 0.05 | 0.03 | 0.01 | 50 | 82.00 | 45.76 | 28.54 | 2.45 | 2.28 | 7.62 | 3 | NA | NA | NA | NA | NA | NA |
2659 | exec - multideterminant.f90:157-163 | multideterminant_hpsi | Innermost | 0.05 | 0.03 | 0.01 | 48 | 12.00 | 94.87 | 42.95 | 1.07 | 1.1 | 2 | 3 | 1 | 3 | 0 | 0 | 5 | NA |
2569 | exec - multideterminante.f90:180-181 | multideterminante | Innermost | 0.05 | 0.03 | 0.01 | 48 | 2.00 | 80 | 42.5 | 1.03 | 1 | 2.95 | 3 | 0 | 1 | 0 | 0 | 1 | NA |
2317 | exec - gammai.f90:74-78 | gammai | Single | 0.05 | 0.03 | 0.01 | 50 | 21.00 | 0 | 12.5 | 1 | 8 | 8 | 3 | 0 | 0 | 0 | 0 | 0 | NA |
4080 | exec - multiply_slmi_mderiv.f90:18-34 [...] | multiply_slmi_mderiv_simple | InBetween | 0.05 | 0.03 | 0.01 | 51 | 128.00 | 0 | 12.5 | 4.11 | 1 | 8 | 3 | 1 | 0.5 | 0.5 | 5.5 | 1 | NA |
2668 | exec - multideterminant.f90:107-113 | multideterminant_hpsi | Innermost | 0.05 | 0.03 | 0.01 | 52 | 475.00 | 0 | 12.5 | 1 | 1.11 | 8 | 3 | 0 | 4 | 0 | 3 | 0 | NA |
2608 | exec - multideterminante.f90:63-64 | multideterminante | Innermost | 0.05 | 0.03 | 0.01 | 51 | 0.00 | 100 | 50 | 1 | 1 | 2 | 3 | 0 | 1 | 0 | 0 | 0 | NA |
2621 | exec - multideterminante.f90:243-244 | multideterminante_grad | Innermost | 0.04 | 0.03 | 0.01 | 50 | 82.00 | 0 | 12.5 | 1 | 2.91 | 8 | 3 | 0 | 2 | 0 | 0 | 1 | NA |
2383 | exec - nonloc.f90:77-186 [...] | nonloc | Outermost | 0.04 | 0.03 | 0.01 | 46 | 0.00 | 27.21 | 20.5 | 3.77 | 2.43 | 9.03 | 3 | NA | NA | NA | NA | NA | NA |
3463 | exec - deriv_nonlpsi.f90:157-171 | deriv_psianl | Single | 0.04 | 0.03 | 0.01 | 52 | 172.00 | 12.5 | 13.87 | 1.38 | 1.51 | 10.46 | 3 | NA | NA | NA | NA | NA | NA |
3258 | exec - determinante_psit.f90:29-30 | determinante_psit | Single | 0.04 | 0.03 | 0.01 | 51 | 328.00 | 100 | 50 | 1 | 1.5 | 2 | 3 | 0 | 3 | 0 | 0 | 0 | NA |
3256 | exec - determinante_psit.f90:25-26 | determinante_psit | Single | 0.04 | 0.03 | 0.01 | 50 | 288.00 | 100 | 50 | 1 | 1.5 | 2 | 3 | 0 | 3 | 0 | 0 | 0 | NA |
2607 | exec - multideterminante.f90:37-65 [...] | multideterminante | InBetween | 0.04 | 0.03 | 0.01 | 45 | 0.00 | 0 | 10.97 | 1 | 1 | 13.03 | 3 | 0 | 0 | 0 | 1 | 0 | NA |
4321 | exec - jastrow4e.f90:131-134 | jastrow4e | Innermost | 0.04 | 0.02 | 0.01 | 48 | 46.00 | 0 | 11.64 | 1 | 2 | 9.33 | 2 | 1 | 1 | 0 | 1 | 0 | NA |
4351 | exec - detsav.f90:70-71 | detsav | Innermost | 0.04 | 0.02 | 0.01 | 42 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 8 | 0 | 0 | 0 | NA |
4391 | exec - optjas.f90:44-122 [...] | optjas_deloc | InBetween | 0.04 | 0.03 | 0.01 | 44 | 4.00 | 18.22 | 15.35 | 1.16 | 1.67 | 8.79 | 3 | 3 | 0.67 | 0 | 3.67 | 0 | NA |
4078 | exec - multiply_slmi_mderiv.f90:18-35 [...] | multiply_slmi_mderiv_simple | InBetween | 0.04 | 0.02 | 0.01 | 51 | 102.00 | 0 | 12.33 | 1 | 1 | 8.15 | 2 | NA | NA | NA | NA | NA | NA |
2667 | exec - multideterminant.f90:100-159 [...] | multideterminant_hpsi | InBetween | 0.04 | 0.03 | 0.01 | 45 | 17.00 | 34.85 | 25.38 | 2.42 | 1 | 4.99 | 3 | NA | NA | NA | NA | NA | NA |
4529 | exec - optorb.f90:124-126 | optorb_compute | Innermost | 0.04 | 0.04 | 0.01 | 50 | 96.00 | 100 | 50 | 1 | 1 | 2 | 4 | 0 | 3 | 0 | 0 | 0 | NA |
4319 | exec - jastrow4e.f90:55-333 [...] | jastrow4e | Innermost | 0.03 | 0.02 | 0.01 | 46 | 22.00 | 0 | 11.54 | 1.33 | 1.21 | 8.89 | 2 | 2 | 0 | 0 | 0 | 2 | NA |
4079 | exec - multiply_slmi_mderiv.f90:18-35 [...] | multiply_slmi_mderiv_simple | InBetween | 0.03 | 0.02 | 0.01 | 48 | 83.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | NA | NA | NA | NA | NA | NA |
2598 | exec - multideterminante.f90:37-63 [...] | multideterminante | InBetween | 0.03 | 0.02 | 0.01 | 45 | 64.00 | 0 | 12.5 | 3.5 | 1 | 8 | 2 | 1 | 0 | 0 | 3 | 0 | NA |
4076 | exec - multiply_slmi_mderiv.f90:18-34 [...] | multiply_slmi_mderiv_simple | InBetween | 0.03 | 0.03 | 0.01 | 49 | 189.00 | 43.06 | 17.88 | 1.27 | 1.18 | 5.41 | 3 | 1 | 0 | 0 | 5.67 | 0 | NA |
4065 | exec - distances.f90:51-58 | distances | Single | 0.03 | 0.02 | 0.01 | 37 | 0.00 | 33.33 | 16.67 | 1.92 | 1 | 7.38 | 2 | 1 | 2 | 2 | 1 | 0 | NA |
4363 | exec - detsav.f90:96-100 | detsav | Innermost | 0.03 | 0.02 | 0.01 | 34 | 0.00 | 87.5 | 45.31 | 1.03 | 1 | 2.91 | 2 | 0 | 1 | 0 | 0 | 1 | NA |
4073 | exec - multiply_slmi_mderiv.f90:25-26 | multiply_slmi_mderiv_simple | Innermost | 0.03 | 0.02 | 0.01 | 50 | 129.00 | 0 | 12.5 | 1 | 2.58 | 8 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
4383 | exec - optjas.f90:154-157 | optjas_deloc | Innermost | 0.03 | 0.04 | 0.01 | 51 | 348.00 | 100 | 50 | 1 | 1.5 | 2 | 4 | 0 | 5 | 0 | 0 | 0 | NA |
3447 | exec - bxmatrices.f90:40-41 | bxmatrix | Innermost | 0.03 | 0.02 | 0.01 | 44 | 0.00 | 100 | 41.67 | 1.09 | 1 | 2.67 | 2 | 0 | 2 | 0 | 0 | 2 | NA |
4070 | exec - multiply_slmi_mderiv.f90:25-26 | multiply_slmi_mderiv_simple | Innermost | 0.03 | 0.03 | 0.01 | 51 | 383.00 | 0 | 12.5 | 1.47 | 1.56 | 8 | 3 | 0 | 3 | 1 | 0 | 0 | NA |
2343 | exec - deriv_nonloc.f90:432-434 | deriv_nonlocj_quad4 | Innermost | 0.03 | 0.02 | 0.01 | 39 | 0.00 | 85.71 | 42.86 | 1.1 | 1.17 | 2.56 | 2 | 0 | 1 | 0 | 0 | 1 | NA |
4626 | exec - optorb.f90:880-1005 [...] | optorb_define | InBetween | 0.03 | 0.02 | 0.01 | 43 | 0.00 | 0 | 10.71 | 1 | 1 | 13.4 | 2 | NA | NA | NA | NA | NA | NA |
2684 | exec - multideterminant.f90:344-357 [...] | compute_ymat | Outermost | 0.03 | 0.02 | 0.01 | 46 | 30.00 | 0 | 12.04 | 1 | 1 | 11.08 | 2 | NA | NA | NA | NA | NA | NA |
2630 | exec - multideterminant.f90:272-278 | multideterminant_hpsi | Innermost | 0.03 | 0.03 | 0.01 | 45 | 28.00 | 0 | 12.5 | 1.04 | 1.59 | 8 | 3 | 0 | 0 | 0 | 3 | 3 | NA |
2606 | exec - multideterminante.f90:63-64 | multideterminante | Innermost | 0.03 | 0.03 | 0.01 | 41 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 3 | 0 | 1 | 0 | 0 | 0 | NA |
3404 | exec - determinante.f90:38-59 [...] | determinante | InBetween | 0.03 | 0.03 | 0.01 | 47 | 97.00 | 45.71 | 24.29 | 3.08 | 2.59 | 7.89 | 3 | NA | NA | NA | NA | NA | NA |
3129 | exec - orbitals.f90:94-583 [...] | orbitals | Outermost | 0.03 | 0.03 | 0.01 | 39 | 6.00 | 3.2 | 12.35 | 1 | 1 | 12.45 | 3 | NA | NA | NA | NA | NA | NA |
4294 | exec - hpsi.f90:198-200 | hpsi | Innermost | 0.03 | 0.03 | 0.01 | 48 | 63.00 | 83.33 | 41.67 | 1.1 | 1.19 | 2.6 | 3 | 0 | 2 | 0 | 0 | 1 | NA |
4413 | exec - optjas.f90:44-120 [...] | optjas_deloc | InBetween | 0.03 | 0.03 | 0.01 | 44 | 116.00 | 37.76 | 18.46 | 2.29 | 2.6 | 8.98 | 3 | 1.67 | 0 | 0 | 5.67 | 0 | NA |
3465 | exec - deriv_nonlpsi.f90:153-155 | deriv_psianl | Single | 0.03 | 0.02 | 0.01 | 40 | 4.00 | 0 | 12.5 | 1 | 1.62 | 8 | 2 | 1 | 1 | 0 | 1 | 0 | NA |
4074 | exec - multiply_slmi_mderiv.f90:18-27 [...] | multiply_slmi_mderiv_simple | InBetween | 0.03 | 0.03 | 0.01 | 51 | 100.00 | 35 | 15.94 | 2.17 | 1.79 | 10.26 | 3 | 1 | 0 | 0 | 2 | 1 | NA |
4081 | exec - multiply_slmi_mderiv.f90:33-34 | multiply_slmi_mderiv_simple | Innermost | 0.03 | 0.03 | 0.01 | 49 | 61.00 | 0 | 12.5 | 1 | 2.91 | 8 | 3 | 0 | 1 | 0 | 1 | 0 | NA |
2631 | exec - multideterminant.f90:272-278 | multideterminant_hpsi | Innermost | 0.03 | 0.03 | 0.01 | 38 | 0.00 | 100 | 42.5 | 1.06 | 1 | 2.73 | 3 | 0 | 2 | 0 | 0 | 1 | NA |
2577 | exec - multideterminante.f90:164-164 | multideterminante | Innermost | 0.03 | 0.02 | 0.01 | 45 | 3.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2711 | exec - multideterminant.f90:479-485 | compute_dymat | Single | 0.03 | 0.03 | 0.01 | 44 | 14.00 | 0 | 12.5 | 2 | 2.38 | 8 | 3 | 1 | 1 | 1 | 4 | 0 | NA |
4084 | exec - multiply_slmi_mderiv.f90:18-34 [...] | multiply_slmi_mderiv_simple | InBetween | 0.03 | 0.02 | 0.01 | 51 | 137.00 | 0 | 12.2 | 1.59 | 1 | 10.2 | 2 | 1 | 0 | 0 | 9 | 1 | NA |
4648 | exec - get_norbterm.f90:59-194 [...] | get_norbterm | InBetween | 0.03 | 0.02 | 0.01 | 46 | 0.00 | 0 | 10.23 | 1 | 1 | 14.27 | 2 | NA | NA | NA | NA | NA | NA |
3450 | exec - bxmatrices.f90:40-41 | bxmatrix | Innermost | 0.03 | 0.02 | 0.01 | 42 | 0.00 | 100 | 41.67 | 1.09 | 1 | 2.67 | 2 | 0 | 2 | 0 | 0 | 2 | NA |
2599 | exec - multideterminante.f90:61-63 | multideterminante | Innermost | 0.02 | 0.02 | 0.01 | 38 | 26.00 | 100 | 50 | 1 | 1.41 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
2295 | exec - jassav.f90:33-39 | jassav | Innermost | 0.02 | 0.03 | 0.01 | 38 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 3 | 0 | 0 | 0 | 4 | 0 | NA |
5344 | exec - optwf_sr_more.f90:180-182 | atimes_n | Innermost | 0.02 | 0.02 | 0.01 | 36 | 0.00 | 20 | 15 | 1.31 | 5.1 | 7.79 | 2 | 1 | 2 | 0 | 3 | 0 | NA |
4628 | exec - optorb.f90:999-1000 | optorb_define | Innermost | 0.02 | 0.01 | 0 | 33 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
2620 | exec - multideterminante.f90:247-248 | multideterminante_grad | Innermost | 0.02 | 0.02 | 0.01 | 43 | 40.00 | 100 | 50 | 1 | 1.25 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
3407 | exec - determinante.f90:52-53 | determinante | Innermost | 0.02 | 0.02 | 0 | 36 | 0.00 | 100 | 42.86 | 1.08 | 1.17 | 2.55 | 2 | 0 | 2 | 0 | 0 | 2 | NA |
3361 | exec - basis_fns.f90:71-71 | basis_fns | Innermost | 0.02 | 0.02 | 0 | 30 | 0.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
3427 | exec - determinante.f90:319-322 | determinante_ref_grad | Single | 0.02 | 0.01 | 0 | 32 | 0.00 | 100 | 42.19 | 1.04 | 1.04 | 2.15 | 1 | 0 | 2 | 0 | 0 | 6 | NA |
2595 | exec - multideterminante.f90:37-64 [...] | multideterminante | InBetween | 0.02 | 0.02 | 0.01 | 43 | 32.00 | 0 | 12.24 | 1 | 1 | 8.19 | 2 | NA | NA | NA | NA | NA | NA |
2441 | exec - nonloc.f90:1204-1207 | nonlocj_quad4 | Innermost | 0.02 | 0.02 | 0 | 39 | 0.00 | 0 | 11.88 | 2.5 | 1.6 | 11.43 | 2 | 1 | 0 | 0 | 2 | 0 | NA |
2368 | exec - nonloc.f90:77-276 [...] | nonloc | InBetween | 0.02 | 0.02 | 0 | 48 | 0.00 | 29.06 | 23.04 | 2.51 | 1.37 | 7.69 | 0 | 0.75 | 0 | 0 | 2.75 | 0 | NA |
4077 | exec - multiply_slmi_mderiv.f90:25-26 | multiply_slmi_mderiv_simple | Innermost | 0.02 | 0.02 | 0.01 | 35 | 4.00 | 100 | 50 | 1.37 | 1.44 | 2 | 2 | 0 | 2 | 1 | 0 | 0 | NA |
3369 | exec - determinant.f90:67-78 | determinant | Innermost | 0.02 | 0.01 | 0.01 | 39 | 0.00 | 0 | 11.51 | 1 | 1 | 15.39 | 1 | 3 | 0 | 0 | 4 | 0 | NA |
4355 | exec - detsav.f90:46-55 | detsav | InBetween | 0.02 | 0.02 | 0.01 | 33 | 0.00 | 14.29 | 16.96 | 3.95 | 1 | 7.47 | 2 | NA | NA | NA | NA | NA | NA |
385 | exec - m_ewald.f90:213-223 [...] | allocate_periodic | Outermost | 0.02 | 0.01 | 0.01 | 37 | 0.00 | 0 | 11.36 | 1 | 1 | 12.14 | 1 | NA | NA | NA | NA | NA | NA |
4410 | exec - optjas.f90:44-120 [...] | optjas_deloc | InBetween | 0.02 | 0.02 | 0 | 31 | 0.00 | 16.56 | 17.71 | 4.1 | 1 | 6.89 | 2 | NA | NA | NA | NA | NA | NA |
4348 | exec - detsav.f90:46-101 [...] | detsav | InBetween | 0.02 | 0.02 | 0.01 | 32 | 0.00 | 5.41 | 12.8 | 3.66 | 1 | 27.43 | 2 | NA | NA | NA | NA | NA | NA |
2292 | exec - jassav.f90:16-57 [...] | jassav | InBetween | 0.02 | 0.01 | 0 | 30 | 0.00 | 1.28 | 11.38 | 4.3 | 1 | 13.93 | 1 | NA | NA | NA | NA | NA | NA |
4267 | exec - jastrow4.f90:55-318 [...] | jastrow_factor4 | Innermost | 0.02 | 0.02 | 0.01 | 48 | 62.00 | 0 | 11.74 | 1.22 | 1.14 | 8.62 | 2 | 2 | 0 | 0 | 0 | 2 | NA |
2370 | exec - nonloc.f90:77-276 [...] | nonloc | InBetween | 0.02 | 0.02 | 0.01 | 43 | 152.00 | 58.49 | 34.38 | 1.57 | 2.07 | 5.14 | 2 | NA | NA | NA | NA | NA | NA |
3370 | exec - determinant.f90:88-93 | determinant | Innermost | 0.02 | 0.02 | 0.01 | 37 | 11.00 | 0 | 12.5 | 2.72 | 1 | 8 | 2 | 3 | 0 | 0 | 5 | 0 | NA |
2339 | exec - deriv_nonloc.f90:282-455 [...] | deriv_nonlocj_quad4 | Outermost | 0.02 | 0.01 | 0.01 | 38 | 12.00 | 17.53 | 12.82 | 3.93 | 2.37 | 12.37 | 1 | NA | NA | NA | NA | NA | NA |
2657 | exec - multideterminant.f90:188-236 [...] | multideterminant_hpsi | Innermost | 0.02 | 0.02 | 0.01 | 34 | 4.00 | 99.48 | 44.62 | 1.08 | 1.22 | 2.6 | 2 | 2 | 2 | 2 | 2 | 13 | NA |
2619 | exec - multideterminante.f90:247-248 | multideterminante_grad | Innermost | 0.02 | 0.01 | 0.01 | 41 | 56.00 | 0 | 12.5 | 1 | 1.25 | 8 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
2391 | exec - nonloc.f90:151-168 | nonloc | Innermost | 0.02 | 0.01 | 0 | 32 | 0.00 | 4 | 11.75 | 3.3 | 2.44 | 12.65 | 1 | 1 | 0 | 1 | 10 | 0 | NA |
4071 | exec - multiply_slmi_mderiv.f90:18-36 | multiply_slmi_mderiv_simple | Outermost | 0.02 | 0.02 | 0 | 43 | 0.00 | 0 | 11.5 | 1 | 1 | 10 | 2 | NA | NA | NA | NA | NA | NA |
2596 | exec - multideterminante.f90:61-63 | multideterminante | Innermost | 0.02 | 0.01 | 0.01 | 41 | 126.00 | 0 | 12.5 | 1 | 1.5 | 8 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
2617 | exec - multideterminante.f90:220-251 [...] | multideterminante_grad | Outermost | 0.02 | 0.02 | 0 | 35 | 0.00 | 7.41 | 15.28 | 2.31 | 1 | 7.26 | 2 | NA | NA | NA | NA | NA | NA |
4292 | exec - hpsi.f90:88-201 [...] | hpsi | InBetween | 0.02 | 0.02 | 0 | 32 | 0.00 | 17.42 | 14.39 | 1.22 | 1.54 | 9.59 | 2 | 1.5 | 0 | 0.75 | 2.5 | 0 | NA |
2346 | exec - deriv_nonloc.f90:406-449 [...] | deriv_nonlocj_quad4 | InBetween | 0.02 | 0.03 | 0.01 | 35 | 0.00 | 0 | 10.77 | 1 | 1 | 13.42 | 3 | 1.25 | 0.5 | 1.5 | 1.25 | 0 | NA |
2720 | exec - multideterminant.f90:638-641 | compute_zmat | Innermost | 0.02 | 0.02 | 0.01 | 48 | 288.00 | 100 | 50 | 1.25 | 1.54 | 2 | 2 | 0 | 4 | 2 | 0 | 0 | NA |
6123 | exec - metrop_mov1_slat.f90:349-355 | metrop6 | Innermost | 0.02 | 0.02 | 0.01 | 41 | 24.00 | 40.25 | 17.2 | 1.19 | 2.3 | 7.13 | 2 | 1.5 | 0 | 0 | 2 | 0 | NA |
2344 | exec - deriv_nonloc.f90:422-427 | deriv_nonlocj_quad4 | Innermost | 0.02 | 0.01 | 0.01 | 45 | 24.00 | 16.67 | 13.54 | 2.7 | 3.18 | 12.39 | 1 | 2 | 0 | 0 | 3 | 0 | NA |
2588 | exec - multideterminante.f90:113-134 | multideterminante | Innermost | 0.02 | 0.01 | 0 | 37 | 0.00 | 11.11 | 13.89 | 1.52 | 1.9 | 4.75 | 1 | 1 | 3 | 0 | 3 | 2 | NA |
3363 | exec - determinant_psit.f90:20-21 | determinant_psit | Single | 0.01 | 0.01 | 0 | 19 | 0.00 | 100 | 50 | 1 | 1.5 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | NA |
2382 | exec - nonloc.f90:77-186 [...] | nonloc | InBetween | 0.01 | 0.01 | 0 | 23 | 0.00 | 0 | 11.79 | 1 | 1 | 13.26 | 1 | NA | NA | NA | NA | NA | NA |
2299 | exec - jassav.f90:19-22 | jassav | Innermost | 0.01 | 0.01 | 0 | 18 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 8 | 0 | NA |
3253 | exec - readps_gauss.f90:40-48 | getvps_gauss | Innermost | 0.01 | 0.01 | 0 | 23 | 0.00 | 22.22 | 14.24 | 3.67 | 2.24 | 11.52 | 0 | 3 | 1 | 1 | 1 | 0 | NA |
2496 | exec - deriv_jastrow4.f90:135-136 | deriv_jastrow4 | Innermost | 0.01 | 0.01 | 0 | 16 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | 0 | 0 | 0 | 8 | 0 | NA |
2362 | exec - nonloc.f90:77-322 [...] | nonloc | Outermost | 0.01 | 0.01 | 0 | 20 | 0.00 | 66.67 | 34.72 | 1.71 | 1.32 | 3.14 | 1 | NA | NA | NA | NA | NA | NA |
391 | exec - m_ewald.f90:222-222 | allocate_periodic | Innermost | 0.01 | 0.01 | 0 | 27 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
3406 | exec - determinante.f90:56-57 | determinante | Innermost | 0.01 | 0.01 | 0 | 28 | 0.00 | 100 | 50 | 1 | 1.5 | 2 | 1 | 0 | 3 | 0 | 0 | 0 | NA |
3401 | exec - determinante.f90:38-64 | determinante | Outermost | 0.01 | 0.01 | 0 | 22 | 0.00 | 23.26 | 15.99 | 4.26 | 3.24 | 11.84 | 1 | NA | NA | NA | NA | NA | NA |
3405 | exec - determinante.f90:52-53 | determinante | Innermost | 0.01 | 0.01 | 0 | 30 | 0.00 | 0 | 12.5 | 1 | 3.2 | 8 | 0 | 0 | 2 | 0 | 1 | 0 | NA |
2359 | exec - deriv_nonloc.f90:267-269 | deriv_nonlocj_quad4 | Innermost | 0.01 | 0.02 | 0 | 13 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 1 | 0 | 0 | 0 | 0 | NA |
2717 | exec - multideterminant.f90:610-642 [...] | compute_zmat | InBetween | 0.01 | 0.01 | 0 | 28 | 0.00 | 43.56 | 28.63 | 2.11 | 1.37 | 5.64 | 0 | 1 | 0 | 0 | 6.33 | 0 | NA |
4424 | exec - optjas.f90:53-56 | optjas_deloc | Innermost | 0.01 | 0.02 | 0 | 24 | 0.00 | 0 | 12.5 | 1.13 | 1.13 | 8 | 2 | 0 | 0 | 0 | 4 | 0 | NA |
390 | exec - m_ewald.f90:222-222 | allocate_periodic | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
4293 | exec - hpsi.f90:198-200 | hpsi | Innermost | 0.01 | 0.01 | 0 | 29 | 0.00 | 0 | 12.5 | 1 | 2.67 | 8 | 0 | 0 | 2 | 0 | 1 | 0 | NA |
7424 | exec - | for_index | Outermost | 0.01 | 0.01 | 0 | 24 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | NA | NA | NA | NA | NA | NA |
6113 | exec - metrop_mov1_slat.f90:254-258 | metrop6 | Innermost | 0.01 | 0.01 | 0 | 37 | 0.00 | 15.38 | 14.42 | 1.25 | 1.36 | 3.33 | 0 | 5 | 0 | 0 | 1 | 0 | NA |
4072 | exec - multiply_slmi_mderiv.f90:33-35 | multiply_slmi_mderiv_simple | Innermost | 0.01 | 0.01 | 0 | 27 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | 0 | 0 | 0 | 3 | 0 | NA |
2710 | exec - multideterminant.f90:497-532 | compute_dymat | Single | 0.01 | 0.01 | 0 | 40 | 0.00 | 0 | 12.5 | 1.48 | 2.5 | 8 | 0 | 1 | 5 | 3 | 0 | 2 | NA |
7328 | exec - | for_cpstr | Single | 0.01 | 0.01 | 0 | 17 | 0.00 | 0 | 9.38 | 1 | 1 | 13.71 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
3360 | exec - basis_fns.f90:71-71 | basis_fns | Innermost | 0.01 | 0.01 | 0 | 27 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
3399 | exec - determinant.f90:257-266 | compute_bmatrices_kin | InBetween | 0.01 | 0.01 | 0 | 31 | 0.00 | 34.98 | 25.62 | 3.33 | 1.41 | 5.93 | 0 | 1 | 0 | 0 | 7 | 0 | NA |
4280 | exec - jastrow4.f90:128-138 [...] | jastrow_factor4 | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 0 | 11.68 | 1 | 2.29 | 9.23 | 0 | 1 | 0 | 0 | 2 | 0 | NA |
2628 | exec - multideterminant.f90:108-286 [...] | multideterminant_hpsi | InBetween | 0.01 | 0.02 | 0 | 29 | 0.00 | 15.07 | 16.7 | 3.25 | 2.2 | 11.31 | 2 | NA | NA | NA | NA | NA | NA |
3395 | exec - determinant.f90:257-281 [...] | compute_bmatrices_kin | InBetween | 0.01 | 0.01 | 0 | 14 | 0.00 | 0 | 12.12 | 1 | 1 | 10.45 | 1 | NA | NA | NA | NA | NA | NA |
2350 | exec - deriv_nonloc.f90:390-391 | deriv_nonlocj_quad4 | Innermost | 0.01 | 0.01 | 0 | 23 | 0.00 | 0 | 12.5 | 1.2 | 1.5 | 8 | 1 | 0 | 1 | 0 | 1 | 0 | NA |
2374 | exec - nonloc.f90:77-260 [...] | nonloc | InBetween | 0.01 | 0.01 | 0 | 29 | 0.00 | 32.35 | 24.63 | 3.29 | 2.94 | 6.7 | 0 | 1 | 0 | 0 | 7.67 | 0 | NA |
4075 | exec - multiply_slmi_mderiv.f90:25-26 | multiply_slmi_mderiv_simple | Innermost | 0.01 | 0.02 | 0 | 33 | 0.00 | 100 | 50 | 1 | 1.54 | 2 | 0 | 0 | 2 | 0 | 0 | 0 | NA |
4687 | exec - optci.f90:56-58 | optci_deloc | Innermost | 0.01 | 0.01 | 0 | 24 | 0.00 | 100 | 50 | 1 | 1.42 | 2 | 0 | 0 | 6 | 0 | 0 | 0 | NA |
2492 | exec - deriv_jastrow4.f90:526-530 | deriv_jastrow4 | Innermost | 0.01 | 0.02 | 0 | 29 | 0.00 | 0 | 11.68 | 1 | 2.29 | 9.23 | 2 | 1 | 0 | 0 | 2 | 0 | NA |
2356 | exec - deriv_nonloc.f90:286-288 | deriv_nonlocj_quad4 | Innermost | 0.01 | 0.02 | 0 | 25 | 0.00 | 12.5 | 14.06 | 1 | 1 | 7.5 | 2 | 1 | 0 | 0 | 0 | 0 | NA |
4366 | exec - detsav.f90:86-89 | detsav | Innermost | 0.01 | 0.01 | 0 | 15 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 4 | 0 | NA |
4376 | exec - optjas.f90:44-176 [...] | optjas_deloc | Outermost | 0.01 | 0.01 | 0 | 16 | 0.00 | 6.52 | 14.04 | 7 | 1 | 11.45 | 1 | NA | NA | NA | NA | NA | NA |
3146 | exec - orbitals.f90:94-559 [...] | orbitals | InBetween | 0.01 | 0.01 | 0 | 13 | 0.00 | 1.92 | 12.5 | 1 | 1 | 8.65 | 1 | 1 | 0 | 0 | 0.75 | 0 | NA |
3090 | exec - matinv.f90:69-82 | matinv | Outermost | 0.01 | 0.01 | 0 | 14 | 0.00 | 20 | 14.38 | 1.53 | 2.17 | 12.9 | 1 | NA | NA | NA | NA | NA | NA |
408 | exec - m_ewald.f90:342-342 | allocate_tempor_test | Innermost | 0.01 | 0.01 | 0 | 29 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
2407 | exec - nonloc.f90:460-846 [...] | orbitals_quad | Outermost | 0.01 | 0.01 | 0 | 33 | 0.00 | 4.88 | 13.41 | 6.75 | 1 | 10.99 | 0 | NA | NA | NA | NA | NA | NA |
2444 | exec - nonloc.f90:1117-1119 | nonlocj_quad4 | Innermost | 0.01 | 0.01 | 0 | 17 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 0 | 0 | NA |
2315 | exec - gammai.f90:94-106 | gammai | Single | 0.01 | 0.01 | 0 | 44 | 0.00 | 0 | 11.98 | 1 | 5.45 | 9.23 | 0 | 0 | 0 | 0 | 0 | 0 | NA |
2367 | exec - nonloc.f90:77-277 [...] | nonloc | InBetween | 0.01 | 0.02 | 0 | 28 | 0.00 | 14.29 | 17.63 | 5.69 | 1.98 | 9.13 | 2 | NA | NA | NA | NA | NA | NA |
2683 | exec - multideterminant.f90:352-357 | compute_ymat | Innermost | 0.01 | 0.01 | 0 | 13 | 0.00 | 0 | 12.5 | 1.2 | 1.76 | 8 | 1 | 0 | 1 | 1 | 5 | 0 | NA |
4444 | exec - optjas.f90:234-239 | optjas_sum | Innermost | 0.01 | 0.01 | 0 | 18 | 0.00 | 0 | 12.5 | 1.36 | 1.36 | 8 | 0 | 1 | 2.5 | 0 | 0 | 4 | NA |
4056 | exec - distances.f90:72-81 | distances | Innermost | 0.01 | 0.02 | 0 | 35 | 0.00 | 19.67 | 14.96 | 1 | 1.5 | 2 | 2 | 1 | 0 | 0 | 8 | 0 | NA |
407 | exec - m_ewald.f90:342-342 | allocate_tempor_test | Innermost | 0.01 | 0.01 | 0 | 17 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
3583 | exec - nonlpsi.f90:143-145 | psianl | Single | 0.01 | 0.02 | 0 | 26 | 0.00 | 0 | 12.5 | 1 | 4.71 | 8 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
3132 | exec - orbitals.f90:94-581 [...] | orbitals | InBetween | 0.01 | 0.01 | 0 | 22 | 0.00 | 5 | 11.88 | 1 | 1 | 12.27 | 1 | NA | NA | NA | NA | NA | NA |
4385 | exec - optjas.f90:44-137 [...] | optjas_deloc | InBetween | 0.01 | 0.01 | 0 | 27 | 0.00 | 18.39 | 18.68 | 4.02 | 1 | 9.65 | 1 | NA | NA | NA | NA | NA | NA |
2876 | exec - jastrowe.f90:45-48 | jastrowe | Innermost | 0.01 | 0.01 | 0 | 15 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 0 | 0 | 1 | 0 | 4 | 0 | NA |
2573 | exec - multideterminante.f90:169-169 | multideterminante | Innermost | 0.01 | 0.01 | 0 | 23 | 0.00 | NA | NA | 1 | NA | NA | 1 | 0 | 0 | 0 | 0 | 0 | NA |
4686 | exec - optci.f90:65-68 | optci_deloc | Innermost | 0.01 | 0.01 | 0 | 20 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
4661 | exec - get_norbterm.f90:125-126 | get_norbterm | Innermost | 0.01 | 0 | 0 | 15 | 0.00 | 100 | 36.76 | 1 | 1 | 2.76 | 0 | 8 | 1 | 0 | 0 | 0 | NA |
2510 | exec - deriv_jastrow4.f90:172-176 | deriv_jastrow4 | Innermost | 0.01 | 0.01 | 0 | 34 | 0.00 | 0 | 11.68 | 1 | 2.29 | 9.23 | 0 | 1 | 0 | 0 | 2 | 0 | NA |
1229 | exec - optwf_sr.f90:497-500 | sr_hs | Innermost | 0.01 | 0.01 | 0 | 39 | 0.00 | 0 | 12.5 | 1.14 | 1.33 | 8 | 0 | 0 | 4 | 0 | 0 | 0 | NA |
4412 | exec - optjas.f90:88-90 | optjas_deloc | Innermost | 0.01 | 0.02 | 0 | 21 | 0.00 | 0 | 12.5 | 1 | 2 | 8 | 2 | 0 | 2 | 0 | 2 | 0 | NA |
4068 | exec - distances.f90:275-290 [...] | distancese_restore | Single | 0.01 | 0.02 | 0 | 27 | 0.00 | 11.11 | 13.89 | 2.05 | 1 | 7.64 | 2 | 0.5 | 0.5 | 0 | 2 | 0 | NA |
3448 | exec - bxmatrices.f90:40-41 | bxmatrix | Innermost | 0.01 | 0.01 | 0 | 14 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 2 | 0 | 0 | 1 | NA |
4067 | exec - distances.f90:30-34 | distances | Single | 0.01 | 0.01 | 0 | 27 | 0.00 | 33.33 | 16.67 | 1 | 1 | 6 | 1 | 0 | 1 | 0 | 6 | 0 | NA |
4650 | exec - get_norbterm.f90:190-191 | get_norbterm | Innermost | 0.01 | 0.01 | 0 | 26 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
3409 | exec - determinante.f90:42-43 | determinante | Innermost | 0.01 | 0.01 | 0 | 17 | 0.00 | 100 | 42.86 | 1.08 | 1.17 | 2.55 | 1 | 0 | 2 | 0 | 0 | 2 | NA |
4660 | exec - get_norbterm.f90:59-127 [...] | get_norbterm | InBetween | 0.01 | 0.01 | 0 | 16 | 0.00 | 96.2 | 35.88 | 1.03 | 1 | 4.04 | 0 | NA | NA | NA | NA | NA | NA |
2439 | exec - nonloc.f90:1092-1226 [...] | nonlocj_quad4 | Outermost | 0.01 | 0.01 | 0 | 20 | 0.00 | 11.11 | 11.81 | 4.35 | 1.47 | 12.39 | 0 | NA | NA | NA | NA | NA | NA |
2627 | exec - multideterminant.f90:58-305 [...] | multideterminant_hpsi | Outermost | 0.01 | 0.01 | 0 | 16 | 0.00 | 30.38 | 20.41 | 8.62 | 1 | 13.55 | 1 | NA | NA | NA | NA | NA | NA |
2314 | exec - gammai.f90:94-106 | gammai | Single | 0.01 | 0.01 | 0 | 30 | 0.00 | 0 | 11.98 | 1.01 | 3.03 | 3.03 | 0 | 0 | 0 | 0 | 0 | 0 | NA |
2429 | exec - nonloc.f90:881-903 [...] | nonlocd_quad | Outermost | 0.01 | 0.01 | 0 | 28 | 0.00 | 44.44 | 19.97 | 2.13 | 3.05 | 10 | 0 | NA | NA | NA | NA | NA | NA |
2392 | exec - nonloc.f90:140-141 | nonloc | Innermost | 0.01 | 0.01 | 0 | 16 | 0.00 | 26.67 | 14.58 | 1.42 | 1 | 10.46 | 1 | 0.5 | 0 | 0 | 1 | 0 | NA |
2593 | exec - multideterminante.f90:37-65 [...] | multideterminante | InBetween | 0.01 | 0.03 | 0 | 24 | 0.00 | 0 | 12.37 | 1 | 1 | 8 | 3 | NA | NA | NA | NA | NA | NA |
2419 | exec - nonloc.f90:460-797 [...] | orbitals_quad | InBetween | 0.01 | 0.01 | 0 | 23 | 0.00 | 20.83 | 14.06 | 1.94 | 1.64 | 10.02 | 0 | 1 | 0 | 0 | 1.5 | 0.75 | NA |
3446 | exec - bxmatrices.f90:28-42 [...] | bxmatrix | Outermost | 0.01 | 0.01 | 0 | 14 | 0.00 | 7.87 | 15.22 | 1.92 | 1 | 7.88 | 1 | 1.67 | 0 | 0 | 4 | 0 | NA |
4384 | exec - optjas.f90:44-147 [...] | optjas_deloc | InBetween | 0.01 | 0.02 | 0 | 28 | 0.00 | 19.47 | 18.64 | 2.38 | 1 | 6.54 | 2 | NA | NA | NA | NA | NA | NA |
2300 | exec - jassav.f90:53-56 | jassav | Innermost | 0.01 | 0.01 | 0 | 14 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 1 | 0 | 0 | 8 | 0 | NA |
2613 | exec - multideterminante.f90:220-263 [...] | multideterminante_grad | Outermost | 0.01 | 0.02 | 0 | 23 | 0.00 | 22.22 | 13.89 | 2.8 | 3.5 | 13.58 | 2 | NA | NA | NA | NA | NA | NA |
2592 | exec - multideterminante.f90:37-65 [...] | multideterminante | InBetween | 0.01 | 0.01 | 0 | 20 | 0.00 | 0 | 12.17 | 1 | 1 | 8 | 1 | NA | NA | NA | NA | NA | NA |
2875 | exec - jastrowe.f90:42-51 | jastrowe | Outermost | 0.01 | 0.01 | 0 | 22 | 0.00 | 0 | 11.46 | 5.65 | 1 | 14.86 | 1 | NA | NA | NA | NA | NA | NA |