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 |
---|
3113 | exec - basis_fns.f90:109-130 [...] | basis_fns | Innermost | 10.05 | 3.03 | 2.75 | 52 | 13.92 | 18.18 | 13.64 | 9.39 | 1 | 14.82 | 1.11 | 3 | 0 | 2 | 12 | 0 | NA |
2882 | exec - orbitals.f90:567-577 [...] | orbitals | Innermost | 6.98 | 2.02 | 1.91 | 52 | 778.85 | 100 | 50 | 1 | 1.33 | 2 | 1.06 | 0 | 6 | 0 | 0 | 0 | NA |
2024 | exec - nonloc.f90:794-795 | orbitals_quad | Innermost | 3.55 | 1.1 | 0.97 | 52 | 456.01 | 100 | 50 | 1 | 1 | 2 | 1.13 | 0 | 2 | 0 | 0 | 0 | NA |
6374 | exec - | __powr8i4 | Single | 2.94 | 0.97 | 0.8 | 52 | 9.58 | 0 | 6.25 | 1 | 1 | 16 | 1.21 | 0 | 0 | 0 | 0 | 0 | NA |
2935 | exec - orbitals.f90:1185-1189 | orbitalse | Innermost | 2.09 | 0.68 | 0.57 | 52 | 1116.81 | 100 | 50 | 1 | 1.33 | 2 | 1.19 | 0 | 6 | 0 | 0 | 0 | NA |
2236 | exec - multideterminant.f90:87-116 [...] | multideterminant_hpsi | InBetween | 2.05 | 0.65 | 0.56 | 52 | 107.57 | 7.5 | 12.89 | 3.99 | 2.85 | 14.21 | 1.16 | NA | NA | NA | NA | NA | NA |
2021 | exec - nonloc.f90:474-795 [...] | orbitals_quad | InBetween | 1.66 | 0.55 | 0.45 | 52 | 367.87 | 23.08 | 19.07 | 2.32 | 3.07 | 11.44 | 1.22 | NA | NA | NA | NA | NA | NA |
2860 | exec - orbitals.f90:561-577 [...] | orbitals | InBetween | 1.45 | 0.5 | 0.4 | 52 | 398.98 | 23.44 | 15.04 | 2.86 | 3.8 | 12.83 | 1.25 | NA | NA | NA | NA | NA | NA |
2225 | exec - multideterminante.f90:240-249 | multideterminante_grad | InBetween | 1.4 | 0.47 | 0.38 | 52 | 117.21 | 23.53 | 13.97 | 3.44 | 3.53 | 13.23 | 1.24 | NA | NA | NA | NA | NA | NA |
4197 | exec - optjas.f90:76-91 [...] | optjas_deloc | InBetween | 1.16 | 0.4 | 0.32 | 52 | 186.81 | 29.31 | 14.87 | 3.09 | 3.18 | 12.32 | 1.25 | NA | NA | NA | NA | NA | NA |
2214 | exec - multideterminante.f90:57-63 | multideterminante | InBetween | 0.94 | 0.34 | 0.26 | 52 | 177.77 | 13.04 | 12.09 | 2.92 | 2.11 | 11.8 | 1.31 | NA | NA | NA | NA | NA | NA |
4366 | exec - optorb.f90:57-83 | optorb_deriv | InBetween | 0.9 | 0.32 | 0.25 | 52 | 89.60 | 10.13 | 13.21 | 5.16 | 2.29 | 12.89 | 1.33 | NA | NA | NA | NA | NA | NA |
3114 | exec - basis_fns.f90:101-103 | basis_fns | Innermost | 0.9 | 0.3 | 0.24 | 52 | 11.71 | 16.67 | 13.54 | 1 | 1 | 13.26 | 1.25 | 0 | 0 | 0 | 1 | 0 | NA |
2268 | exec - multideterminant.f90:106-112 | multideterminant_hpsi | Innermost | 0.88 | 0.32 | 0.24 | 52 | 100.58 | 50 | 18.75 | 1.42 | 1.42 | 6.34 | 1.33 | 1 | 3 | 2 | 4 | 0 | NA |
2216 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.83 | 0.31 | 0.23 | 52 | 67.48 | 42.86 | 17.86 | 1 | 1.6 | 6.5 | 1.35 | 0 | 1 | 0 | 6 | 0 | NA |
4199 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.81 | 0.28 | 0.22 | 52 | 55.41 | 40 | 23.75 | 1.25 | 1.25 | 5.43 | 1.27 | 1 | 3 | 0 | 6 | 0 | NA |
2221 | exec - multideterminante.f90:243-259 [...] | multideterminante_grad | InBetween | 0.59 | 0.22 | 0.16 | 52 | 108.13 | 0 | 12.11 | 1 | 1 | 13.3 | 1.38 | NA | NA | NA | NA | NA | NA |
2223 | exec - multideterminante.f90:258-259 | multideterminante_grad | Innermost | 0.58 | 0.23 | 0.16 | 52 | 136.50 | 33.33 | 16.67 | 1.25 | 1.25 | 6.81 | 1.44 | 0 | 1 | 0 | 2 | 0 | NA |
2296 | exec - multideterminant.f90:351-356 | compute_ymat | Single | 0.54 | 0.24 | 0.15 | 52 | 106.60 | 0 | 12.5 | 1 | 1.31 | 8 | 1.6 | 0 | 2 | 0 | 0 | 7 | NA |
1933 | exec - deriv_nonloc.f90:267-415 [...] | deriv_nonlocj_quad4 | InBetween | 0.51 | 0.19 | 0.14 | 52 | 6.00 | 4.67 | 12 | 4.72 | 1.65 | 12.7 | 1.36 | NA | NA | NA | NA | NA | NA |
4198 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.5 | 0.19 | 0.14 | 52 | 251.57 | 0 | 12.5 | 1.06 | 1.42 | 8 | 1.36 | 0 | 3 | 0 | 2 | 0 | NA |
2231 | exec - multideterminante.f90:242-243 | multideterminante_grad | Innermost | 0.5 | 0.19 | 0.14 | 52 | 25.36 | 33.33 | 16.67 | 1 | 1.43 | 6.67 | 1.36 | 0 | 2 | 0 | 0 | 1 | NA |
3115 | exec - basis_fns.f90:91-98 | basis_fns | Innermost | 0.49 | 0.22 | 0.13 | 52 | 51.15 | 30 | 20 | 2.22 | 1 | 11.87 | 1.69 | 3 | 0 | 0 | 1.5 | 0 | NA |
2230 | exec - multideterminante.f90:242-243 | multideterminante_grad | Innermost | 0.48 | 0.19 | 0.13 | 52 | 100.54 | 0 | 12.5 | 1 | 2.91 | 8 | 1.46 | 0 | 2 | 0 | 0 | 1 | NA |
3106 | exec - basis_fns.f90:80-158 [...] | basis_fns | InBetween | 0.47 | 0.19 | 0.13 | 52 | 16.62 | 0 | 11.41 | 10.82 | 1 | 8.66 | 1.46 | NA | NA | NA | NA | NA | NA |
2210 | exec - multideterminante.f90:45-65 [...] | multideterminante | InBetween | 0.39 | 0.14 | 0.11 | 52 | 177.09 | 19.51 | 13.11 | 3.79 | 2.85 | 13.32 | 1.27 | NA | NA | NA | NA | NA | NA |
2215 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.39 | 0.16 | 0.11 | 52 | 17.45 | 0 | 12.5 | 1 | 2.67 | 8 | 1.45 | 0 | 1 | 0 | 1 | 0 | NA |
4371 | exec - optorb.f90:70-72 | optorb_deriv | Innermost | 0.37 | 0.15 | 0.1 | 52 | 18.90 | 44.19 | 18.02 | 1 | 1.36 | 6.21 | 1.5 | 1 | 1 | 0 | 3 | 0 | NA |
2222 | exec - multideterminante.f90:258-259 | multideterminante_grad | Innermost | 0.37 | 0.17 | 0.1 | 52 | 61.10 | 0 | 12.5 | 1 | 3.2 | 8 | 1.7 | 0 | 1 | 0 | 1 | 0 | NA |
7778 | exec - | __intel_avx_rep_memset | Single | 0.36 | 0.13 | 0.1 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.3 | 0 | 1 | 0 | 0 | 0 | NA |
2227 | exec - multideterminante.f90:246-247 | multideterminante_grad | Innermost | 0.36 | 0.16 | 0.1 | 52 | 136.90 | 100 | 50 | 1 | 1.25 | 2 | 1.6 | 0 | 2 | 0 | 0 | 0 | NA |
3107 | exec - basis_fns.f90:62-226 [...] | basis_fns | Outermost | 0.33 | 0.15 | 0.09 | 52 | 1.11 | 4.79 | 11.94 | 5.66 | 1 | 13.22 | 1.67 | NA | NA | NA | NA | NA | NA |
4087 | exec - jastrow4e.f90:77-296 [...] | jastrow4e | Outermost | 0.33 | 0.14 | 0.09 | 52 | 63.67 | 11.89 | 12.99 | 2.48 | 1.96 | 10.45 | 1.56 | NA | NA | NA | NA | NA | NA |
4364 | exec - optorb.f90:49-92 [...] | optorb_deriv | Outermost | 0.31 | 0.14 | 0.08 | 52 | 149.25 | 13.33 | 13.96 | 6.57 | 1 | 8.18 | 1.75 | NA | NA | NA | NA | NA | NA |
4193 | exec - optjas.f90:76-94 [...] | optjas_deloc | InBetween | 0.31 | 0.14 | 0.08 | 52 | 102.75 | 13.33 | 12.78 | 4.89 | 1.78 | 13.48 | 1.75 | NA | NA | NA | NA | NA | NA |
2042 | exec - nonloc.f90:1192-1194 | nonlocj_quad4 | Innermost | 0.3 | 0.12 | 0.08 | 52 | 16.75 | 0 | 10.71 | 1.38 | 2.59 | 14 | 1.5 | 3 | 0 | 0 | 2 | 1 | NA |
2933 | exec - orbitals.f90:1180-1189 | orbitalse | Outermost | 0.25 | 0.11 | 0.07 | 52 | 752.57 | 28.87 | 15.91 | 1.86 | 1.86 | 10.07 | 1.57 | NA | NA | NA | NA | NA | NA |
2226 | exec - multideterminante.f90:246-247 | multideterminante_grad | Innermost | 0.23 | 0.1 | 0.06 | 52 | 222.33 | 0 | 12.5 | 1 | 1.25 | 8 | 1.67 | 0 | 2 | 0 | 0 | 0 | NA |
5853 | exec - metrop_mov1_slat.f90:147-665 [...] | metrop6 | Outermost | 0.21 | 0.1 | 0.06 | 52 | 32.00 | 9.46 | 13.12 | 2.41 | 2.35 | 4.52 | 1.67 | NA | NA | NA | NA | NA | NA |
2318 | exec - multideterminant.f90:622-630 | compute_zmat | InBetween | 0.19 | 0.1 | 0.05 | 52 | 169.20 | 9.76 | 12.8 | 4.33 | 2.44 | 12.4 | 2 | NA | NA | NA | NA | NA | NA |
2190 | exec - multideterminante.f90:165-168 | multideterminante | Innermost | 0.18 | 0.09 | 0.05 | 52 | 34.60 | 0 | 12.5 | 1 | 1.78 | 8 | 1.8 | 0 | 2 | 0 | 0 | 2 | NA |
2235 | exec - multideterminant.f90:106-112 | multideterminant_hpsi | Innermost | 0.18 | 0.08 | 0.05 | 52 | 0.40 | 0 | 12.5 | 1.19 | 1.55 | 8 | 1.6 | 1 | 3 | 1 | 1 | 1 | NA |
2295 | exec - multideterminant.f90:373-378 | compute_ymat | Single | 0.18 | 0.08 | 0.05 | 52 | 28.40 | 0 | 12.5 | 1.45 | 1.78 | 8 | 1.6 | 1 | 1 | 0 | 5 | 2 | NA |
3834 | exec - multiply_slmi_mderiv.f90:28-33 | multiply_slmi_mderiv_simple | InBetween | 0.18 | 0.09 | 0.05 | 52 | 77.60 | 18.42 | 12.17 | 2.76 | 2.31 | 11.75 | 1.8 | NA | NA | NA | NA | NA | NA |
4140 | exec - detsav.f90:51-53 | detsav | Innermost | 0.17 | 0.08 | 0.05 | 52 | 0.00 | 33.33 | 16.67 | 3 | 1 | 6 | 1.6 | 0 | 2 | 0 | 3 | 0 | NA |
2041 | exec - nonloc.f90:1095-1199 [...] | nonlocj_quad4 | InBetween | 0.17 | 0.07 | 0.05 | 52 | 18.20 | 8 | 13.75 | 3.14 | 1.73 | 7.85 | 1.4 | NA | NA | NA | NA | NA | NA |
3157 | exec - determinant.f90:275-276 | compute_bmatrices_kin | Innermost | 0.16 | 0.08 | 0.04 | 52 | 230.00 | 100 | 50 | 1.03 | 1.29 | 2 | 2 | 0 | 4 | 0 | 0 | 0 | NA |
2881 | exec - orbitals.f90:567-577 [...] | orbitals | Innermost | 0.16 | 0.07 | 0.04 | 52 | 118.25 | 0 | 12.5 | 1 | 1.33 | 8 | 1.75 | 0 | 6 | 0 | 0 | 0 | NA |
4138 | exec - detsav.f90:50-53 | detsav | InBetween | 0.15 | 0.08 | 0.04 | 52 | 0.00 | 0 | 11.41 | 1 | 1 | 14 | 2 | NA | NA | NA | NA | NA | NA |
7777 | exec - | __intel_avx_rep_memcpy | Single | 0.15 | 0.08 | 0.04 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
4370 | exec - optorb.f90:70-72 | optorb_deriv | Innermost | 0.15 | 0.07 | 0.04 | 52 | 259.00 | 0 | 12.5 | 1 | 2 | 8 | 1.75 | 0 | 1 | 0 | 3 | 0 | NA |
3837 | exec - multiply_slmi_mderiv.f90:31-33 | multiply_slmi_mderiv_simple | Innermost | 0.14 | 0.07 | 0.04 | 52 | 191.00 | 33.33 | 16.67 | 1.44 | 1.5 | 7.03 | 1.75 | 0 | 1 | 0 | 4 | 0 | NA |
2309 | exec - multideterminant.f90:637-640 | compute_zmat | Innermost | 0.14 | 0.06 | 0.04 | 52 | 238.25 | 50 | 18.75 | 1.06 | 1.36 | 6.25 | 1.5 | 1 | 2 | 0 | 3 | 0 | NA |
2320 | exec - multideterminant.f90:625-628 | compute_zmat | Innermost | 0.14 | 0.07 | 0.04 | 52 | 43.00 | 40 | 17.5 | 1 | 1.87 | 6.58 | 1.75 | 1 | 0 | 2 | 6 | 0 | NA |
3832 | exec - multiply_slmi_mderiv.f90:21-25 | multiply_slmi_mderiv_simple | InBetween | 0.14 | 0.08 | 0.04 | 52 | 168.25 | 31.03 | 20.47 | 2.11 | 3.28 | 11.03 | 2 | NA | NA | NA | NA | NA | NA |
2294 | exec - multideterminant.f90:406-420 | compute_ymat | Single | 0.14 | 0.07 | 0.04 | 52 | 36.25 | 0 | 12.5 | 1.57 | 2.07 | 8 | 1.75 | 1 | 3 | 1 | 5 | 0 | NA |
4081 | exec - jastrow4e.f90:95-354 [...] | jastrow4e | Outermost | 0.13 | 0.07 | 0.03 | 52 | 52.00 | 21.62 | 14.8 | 2.07 | 1.93 | 7.21 | 2.33 | NA | NA | NA | NA | NA | NA |
1938 | exec - deriv_nonloc.f90:316-401 [...] | deriv_nonlocj_quad4 | Innermost | 0.13 | 0.07 | 0.04 | 52 | 15.75 | 0 | 9.53 | 1.56 | 2.59 | 14.72 | 1.75 | 2.75 | 1.5 | 0 | 4.25 | 0 | NA |
2123 | exec - deriv_jastrow4.f90:191-256 | deriv_jastrow4 | Innermost | 0.13 | 0.08 | 0.03 | 52 | 56.67 | 5.63 | 12.81 | 1 | 2 | 2 | 2.67 | NA | NA | NA | NA | NA | NA |
1967 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.12 | 0.07 | 0.03 | 52 | 255.67 | 100 | 50 | 1 | 1 | 2 | 2.33 | 0 | 3 | 0 | 0 | 0 | NA |
1899 | exec - gammai.f90:74-78 | gammai | Single | 0.12 | 0.06 | 0.03 | 52 | 43.33 | 0 | 12.5 | 1 | 8 | 8 | 2 | 0 | 0 | 0 | 0 | 0 | NA |
4368 | exec - optorb.f90:81-83 | optorb_deriv | Innermost | 0.12 | 0.05 | 0.03 | 52 | 33.00 | 40 | 17.5 | 1 | 1.73 | 6.4 | 1.67 | 1 | 1 | 0 | 3 | 0 | NA |
3259 | exec - deriv_nonlpsi.f90:243-257 | deriv_psibnl | Single | 0.11 | 0.07 | 0.03 | 52 | 40.67 | 6.73 | 11.25 | 1.42 | 1.68 | 4.87 | 2.33 | 1.33 | 2.33 | 0 | 0 | 0.33 | NA |
2108 | exec - deriv_jastrow4.f90:81-486 [...] | deriv_jastrow4 | InBetween | 0.11 | 0.05 | 0.03 | 52 | 95.00 | 4.09 | 12.44 | 2.54 | 1.46 | 6.18 | 1.67 | NA | NA | NA | NA | NA | NA |
2208 | exec - multideterminante.f90:71-76 | multideterminante | Innermost | 0.11 | 0.07 | 0.03 | 52 | 15.33 | 43.75 | 14.84 | 1.06 | 1.42 | 1.59 | 2.33 | 1 | 2 | 0 | 4 | 0 | NA |
4195 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.11 | 0.07 | 0.03 | 52 | 42.67 | 42.86 | 17.86 | 1 | 1.27 | 6.52 | 2.33 | 1 | 2 | 0 | 6 | 0 | NA |
2204 | exec - multideterminante.f90:111-131 | multideterminante | Innermost | 0.11 | 0.05 | 0.03 | 52 | 48.67 | 46.15 | 16.35 | 1.03 | 1.31 | 4.25 | 1.67 | 1 | 5 | 0 | 4 | 1 | NA |
2985 | exec - readps_gauss.f90:72-86 | gauss_pot | Single | 0.11 | 0.05 | 0.03 | 52 | 41.33 | 14.01 | 13.37 | 1.21 | 1.65 | 6.59 | 1.67 | 2 | 2.5 | 0 | 0 | 0 | NA |
7104 | exec - | for_check_mult_overflow64 | Single | 0.1 | 0.05 | 0.03 | 52 | 0.00 | 0 | 10.72 | 1 | 1 | 11.89 | 1.67 | 1 | 0 | 0 | 1 | 0 | NA |
4177 | exec - optjas.f90:127-130 | optjas_deloc | Innermost | 0.09 | 0.05 | 0.02 | 51 | 0.00 | 22.22 | 13.89 | 1 | 1 | 6.4 | 2.5 | 0 | 2 | 0 | 0 | 2 | NA |
1999 | exec - nonloc.f90:377-385 | distance_quad | Single | 0.09 | 0.04 | 0.02 | 52 | 36.00 | 33.33 | 16.67 | 1.03 | 1.03 | 1.38 | 2 | 0 | 0 | 0 | 5 | 0 | NA |
1970 | exec - nonloc.f90:257-258 | nonloc | Innermost | 0.09 | 0.05 | 0.03 | 52 | 111.00 | 100 | 50 | 1 | 1.41 | 2 | 1.67 | 0 | 2 | 0 | 0 | 0 | NA |
2102 | exec - deriv_jastrow4.f90:271-617 [...] | deriv_jastrow4 | InBetween | 0.09 | 0.05 | 0.02 | 52 | 82.00 | 2.8 | 12.56 | 3.13 | 1.89 | 6.25 | 2.5 | NA | NA | NA | NA | NA | NA |
2212 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.09 | 0.05 | 0.02 | 52 | 151.50 | 33.33 | 16.67 | 1.29 | 1.29 | 6.86 | 2.5 | 0 | 1 | 0 | 2 | 0 | NA |
4550 | exec - get_norbterm.f90:182-186 | get_norbterm | Innermost | 0.08 | 0.03 | 0.02 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.5 | 0 | 1 | 0 | 0 | 0 | NA |
2217 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.08 | 0.04 | 0.02 | 52 | 311.50 | 0 | 12.5 | 1 | 2.67 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |
4035 | exec - jastrow4.f90:162-343 [...] | jastrow_factor4 | InBetween | 0.08 | 0.05 | 0.02 | 52 | 96.50 | 19.72 | 16.02 | 2.15 | 1.63 | 5.61 | 2.5 | NA | NA | NA | NA | NA | NA |
4039 | exec - jastrow4.f90:79-272 | jastrow_factor4 | InBetween | 0.07 | 0.05 | 0.02 | 52 | 110.00 | 4.42 | 12.29 | 2.11 | 1.53 | 7.89 | 2.5 | NA | NA | NA | NA | NA | NA |
2861 | exec - orbitals.f90:561-562 | orbitals | Innermost | 0.07 | 0.04 | 0.02 | 50 | 0.50 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 0 | 0 | 0 | 2 | NA |
3235 | exec - bxmatrices.f90:39-40 | bxmatrix | Innermost | 0.07 | 0.05 | 0.02 | 51 | 0.00 | 33.33 | 16.67 | 1 | 1 | 7.11 | 2.5 | 0 | 2 | 0 | 0 | 1 | NA |
2187 | exec - multideterminante.f90:3-184 [...] | multideterminante | Outermost | 0.07 | 0.05 | 0.02 | 51 | 15.50 | 1.94 | 11.87 | 17.21 | 1 | 13.65 | 2.5 | NA | NA | NA | NA | NA | NA |
4182 | exec - optjas.f90:103-107 | optjas_deloc | Innermost | 0.07 | 0.04 | 0.02 | 52 | 18.50 | 0 | 12.5 | 1.5 | 2.53 | 8 | 2 | 1 | 2 | 0 | 3 | 0 | NA |
2025 | exec - nonloc.f90:794-795 | orbitals_quad | Innermost | 0.07 | 0.05 | 0.02 | 52 | 51.00 | 0 | 12.5 | 1 | 3.2 | 8 | 2.5 | 0 | 2 | 0 | 0 | 0 | NA |
2022 | exec - nonloc.f90:794-795 | orbitals_quad | Innermost | 0.07 | 0.03 | 0.02 | 52 | 450.00 | 0 | 12.5 | 1 | 2.58 | 8 | 1.5 | 0 | 2 | 0 | 0 | 0 | NA |
4501 | 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 |
4409 | exec - optorb.f90:170-173 | optorb_sum | Innermost | 0.07 | 0.05 | 0.02 | 51 | 94.00 | 100 | 50 | 1 | 1.04 | 2 | 2.5 | 0 | 6 | 0 | 0 | 0 | NA |
3836 | exec - multiply_slmi_mderiv.f90:31-33 | multiply_slmi_mderiv_simple | Innermost | 0.07 | 0.04 | 0.02 | 52 | 46.50 | 0 | 12.5 | 1 | 2.91 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |
2983 | exec - readps_gauss.f90:22-48 | getvps_gauss | Outermost | 0.06 | 0.03 | 0.02 | 52 | 80.00 | 17.6 | 17.49 | 3.78 | 2.61 | 10.96 | 1.5 | 3 | 0 | 0.67 | 16.33 | 0 | NA |
2218 | exec - multideterminante.f90:51-53 | multideterminante | Innermost | 0.06 | 0.04 | 0.02 | 51 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 2 | 0 | 1 | 0 | NA |
4123 | exec - detsav.f90:95-99 | detsav | Innermost | 0.06 | 0.04 | 0.02 | 50 | 0.00 | 77.78 | 22.22 | 1 | 1 | 5 | 2 | 0 | 7 | 0 | 2 | 0 | NA |
841 | exec - optwf_sr.f90:501-505 | sr_hs | Innermost | 0.06 | 0.02 | 0.02 | 52 | 119.50 | 0 | 12.5 | 1 | 1.08 | 8 | 1 | 0 | 4 | 0 | 0 | 0 | NA |
4180 | exec - optjas.f90:118-120 | optjas_deloc | Innermost | 0.06 | 0.03 | 0.02 | 52 | 18.00 | 0 | 12.5 | 1 | 3.46 | 8 | 1.5 | 0 | 1 | 0 | 1 | 1 | NA |
2211 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.06 | 0.04 | 0.02 | 51 | 17.00 | 0 | 12.5 | 1 | 3.2 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |
1939 | exec - deriv_nonloc.f90:387-390 | deriv_nonlocj_quad4 | Innermost | 0.06 | 0.04 | 0.02 | 51 | 11.50 | 0 | 12.5 | 1.33 | 2 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |
2237 | exec - multideterminant.f90:87-116 [...] | multideterminant_hpsi | InBetween | 0.06 | 0.04 | 0.02 | 51 | 43.00 | 3.13 | 12.11 | 4.64 | 1 | 13.38 | 2 | NA | NA | NA | NA | NA | NA |
2877 | exec - orbitals.f90:580-580 | orbitals | Innermost | 0.06 | 0.05 | 0.02 | 50 | 0.00 | 33.33 | 16.67 | 1 | 1 | 8 | 2.5 | 0 | 1 | 0 | 2 | 0 | NA |
1954 | exec - nonloc.f90:93-285 [...] | nonloc | Outermost | 0.05 | 0.03 | 0.01 | 52 | 142.00 | 15.5 | 16.76 | 3.56 | 1.63 | 10.6 | 3 | NA | NA | NA | NA | NA | NA |
4194 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.05 | 0.04 | 0.01 | 52 | 340.00 | 0 | 12.5 | 1 | 2 | 8 | 4 | 0 | 2 | 0 | 2 | 0 | NA |
2319 | exec - multideterminant.f90:625-628 | compute_zmat | Innermost | 0.05 | 0.03 | 0.01 | 52 | 396.00 | 0 | 12.5 | 1 | 2 | 8 | 3 | 0 | 1 | 0 | 3 | 0 | NA |
2934 | exec - orbitals.f90:1185-1189 | orbitalse | Innermost | 0.05 | 0.04 | 0.01 | 52 | 211.00 | 0 | 12.5 | 1 | 1.33 | 8 | 4 | 0 | 6 | 0 | 0 | 0 | NA |
2103 | exec - deriv_jastrow4.f90:549-606 | deriv_jastrow4 | Innermost | 0.05 | 0.03 | 0.01 | 51 | 43.00 | 4.33 | 12.62 | 1.04 | 1.97 | 2.21 | 3 | 2 | 1 | 0 | 3 | 3 | NA |
3249 | exec - deriv_nonlpsi.f90:157-171 | deriv_psianl | Single | 0.05 | 0.04 | 0.01 | 52 | 97.00 | 7.04 | 11.23 | 1.36 | 1.73 | 4.68 | 4 | 1.33 | 2.33 | 0 | 0 | 0.33 | NA |
3840 | exec - multiply_slmi_mderiv.f90:24-25 | multiply_slmi_mderiv_simple | Innermost | 0.05 | 0.03 | 0.01 | 52 | 358.00 | 0 | 12.5 | 1 | 2.58 | 8 | 3 | 0 | 2 | 0 | 0 | 0 | NA |
3169 | exec - determinante.f90:47-56 | determinante | InBetween | 0.05 | 0.04 | 0.01 | 51 | 84.00 | 27.59 | 13.79 | 3.44 | 3.92 | 13.78 | 4 | NA | NA | NA | NA | NA | NA |
4178 | exec - optjas.f90:112-123 | optjas_deloc | InBetween | 0.05 | 0.03 | 0.01 | 50 | 43.00 | 0 | 12.22 | 7 | 1 | 8.3 | 3 | NA | NA | NA | NA | NA | NA |
1979 | exec - nonloc.f90:134-301 [...] | nonloc | InBetween | 0.04 | 0.03 | 0.01 | 48 | 10.00 | 4.6 | 11.15 | 5.11 | 1.91 | 18.52 | 3 | NA | NA | NA | NA | NA | NA |
3162 | exec - determinant.f90:262-264 | compute_bmatrices_kin | Innermost | 0.04 | 0.03 | 0.01 | 52 | 468.00 | 100 | 50 | 1 | 1.15 | 2 | 3 | 1 | 5 | 0 | 0 | 0 | NA |
3158 | exec - determinant.f90:275-278 | compute_bmatrices_kin | Innermost | 0.04 | 0.02 | 0.01 | 49 | 56.00 | 100 | 43.75 | 1.09 | 1.37 | 2.67 | 2 | 0 | 4 | 0 | 0 | 0 | NA |
4179 | exec - optjas.f90:116-120 | optjas_deloc | InBetween | 0.04 | 0.03 | 0.01 | 48 | 12.00 | 17.14 | 14.29 | 3 | 2.06 | 10.13 | 3 | NA | NA | NA | NA | NA | NA |
2994 | exec - determinante_psit.f90:24-25 | determinante_psit | Single | 0.04 | 0.03 | 0.01 | 51 | 384.00 | 100 | 50 | 1 | 1 | 2 | 3 | 0 | 3 | 0 | 0 | 0 | NA |
4367 | exec - optorb.f90:81-83 | optorb_deriv | Innermost | 0.04 | 0.03 | 0.01 | 51 | 327.00 | 0 | 12.5 | 1 | 2 | 8 | 3 | 0 | 1 | 0 | 3 | 0 | NA |
2263 | exec - multideterminant.f90:155-161 | multideterminant_hpsi | Innermost | 0.04 | 0.04 | 0.01 | 45 | 10.00 | 52 | 16 | 1.17 | 1.6 | 2.56 | 4 | 0 | 3 | 0 | 5 | 0 | NA |
2990 | exec - determinante_psit.f90:28-29 | determinante_psit | Single | 0.04 | 0.02 | 0.01 | 50 | 256.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 3 | 0 | 0 | 0 | NA |
3841 | exec - multiply_slmi_mderiv.f90:24-25 | multiply_slmi_mderiv_simple | Innermost | 0.04 | 0.03 | 0.01 | 51 | 102.00 | 100 | 50 | 1 | 1.54 | 2 | 3 | 0 | 2 | 0 | 0 | 0 | NA |
3156 | exec - determinant.f90:275-278 | compute_bmatrices_kin | Innermost | 0.04 | 0.03 | 0.01 | 46 | 180.00 | 100 | 43.75 | 1 | 1.33 | 2.59 | 3 | 0 | 4 | 0 | 0 | 0 | NA |
2869 | exec - orbitals.f90:557-583 [...] | orbitals | Outermost | 0.04 | 0.02 | 0.01 | 47 | 8.00 | 20.19 | 15.08 | 4.25 | 1 | 13.87 | 2 | NA | NA | NA | NA | NA | NA |
2242 | exec - multideterminant.f90:271-276 | multideterminant_hpsi | Innermost | 0.04 | 0.03 | 0.01 | 50 | 35.00 | 0 | 12.5 | 1 | 1.08 | 8 | 3 | 0 | 2 | 0 | 0 | 5 | NA |
4139 | exec - detsav.f90:51-53 | detsav | Innermost | 0.04 | 0.03 | 0.01 | 47 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 3 | 0 | 2 | 0 | 2 | 0 | NA |
3155 | exec - determinant.f90:274-278 | compute_bmatrices_kin | InBetween | 0.04 | 0.03 | 0.01 | 51 | 200.00 | 4.17 | 11.72 | 2.54 | 1 | 12.76 | 3 | NA | NA | NA | NA | NA | NA |
3131 | exec - determinant.f90:67-93 [...] | determinant | Innermost | 0.03 | 0.02 | 0.01 | 42 | 12.00 | 0 | 12.5 | 16.63 | 1 | 8 | 2 | 2 | 0 | 0 | 11 | 0 | NA |
3260 | exec - deriv_nonlpsi.f90:236-238 | deriv_psibnl | Single | 0.03 | 0.02 | 0.01 | 42 | 0.00 | 0 | 12.5 | 1 | 2.58 | 8 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
2220 | exec - multideterminante.f90:235-262 [...] | multideterminante_grad | Outermost | 0.03 | 0.02 | 0.01 | 47 | 64.00 | 24.24 | 14.39 | 3.15 | 1.43 | 11.38 | 2 | NA | NA | NA | NA | NA | NA |
3360 | exec - nonlpsi.f90:195-197 | psibnl | Single | 0.03 | 0.02 | 0.01 | 38 | 0.00 | 0 | 12.5 | 1 | 4.27 | 8 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2931 | exec - orbitals.f90:1185-1189 | orbitalse | Single | 0.03 | 0.02 | 0.01 | 51 | 724.00 | 100 | 50 | 1 | 1.45 | 2 | 2 | 0 | 5 | 0 | 0 | 0 | NA |
1964 | exec - nonloc.f90:268-274 | nonloc | InBetween | 0.03 | 0.02 | 0.01 | 50 | 440.00 | 0 | 10.81 | 2.84 | 2.67 | 12.44 | 2 | NA | NA | NA | NA | NA | NA |
4372 | exec - optorb.f90:70-72 | optorb_deriv | Innermost | 0.03 | 0.03 | 0.01 | 52 | 194.00 | 0 | 12.5 | 1 | 2 | 8 | 3 | 0 | 1 | 0 | 3 | 0 | NA |
3819 | exec - distances.f90:69-79 | distances | Innermost | 0.03 | 0.02 | 0.01 | 47 | 62.00 | 33.33 | 16.67 | 1.03 | 1.03 | 1.38 | 2 | 0 | 0 | 0 | 5 | 0 | NA |
4100 | exec - jastrow4e.f90:130-133 | jastrow4e | Innermost | 0.03 | 0.03 | 0.01 | 46 | 27.00 | 10 | 11.88 | 1 | 2.54 | 10.95 | 3 | 0 | 2 | 0 | 0 | 0 | NA |
4121 | exec - detsav.f90:46-99 [...] | detsav | Outermost | 0.03 | 0.02 | 0.01 | 42 | 0.00 | 1.28 | 10.42 | 4.48 | 1 | 14.78 | 2 | NA | NA | NA | NA | NA | NA |
4126 | exec - detsav.f90:90-91 | detsav | Innermost | 0.03 | 0.02 | 0.01 | 43 | 0.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
3132 | exec - determinant.f90:65-78 | determinant | Innermost | 0.03 | 0.03 | 0.01 | 41 | 0.00 | 0 | 11.67 | 1 | 1 | 14.11 | 3 | 2 | 0 | 0 | 7 | 0 | NA |
4174 | exec - optjas.f90:153-156 | optjas_deloc | Innermost | 0.03 | 0.02 | 0.01 | 47 | 376.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 5 | 0 | 0 | 0 | NA |
4362 | exec - optorb.f90:123-125 | optorb_compute | Innermost | 0.03 | 0.04 | 0.01 | 42 | 52.00 | 100 | 50 | 1 | 1 | 2 | 4 | 0 | 3 | 0 | 0 | 0 | NA |
1893 | exec - jassav.f90:32-38 | jassav | Innermost | 0.03 | 0.03 | 0.01 | 35 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 3 | 1 | 0 | 0 | 4 | 0 | NA |
2189 | exec - multideterminante.f90:179-180 | multideterminante | Innermost | 0.03 | 0.03 | 0.01 | 40 | 0.00 | 33.33 | 16.67 | 1 | 1 | 8 | 3 | 0 | 1 | 0 | 2 | 0 | NA |
5262 | exec - optwf_sr_more.f90:179-181 | atimes_n | Innermost | 0.02 | 0.01 | 0 | 32 | 0.00 | 25 | 15.63 | 3 | 5.19 | 7.82 | 1 | 3 | 0 | 0 | 4 | 0 | NA |
2308 | exec - multideterminant.f90:637-640 | compute_zmat | Innermost | 0.02 | 0.02 | 0 | 48 | 0.00 | 0 | 12.5 | 1 | 2 | 8 | 0 | 0 | 2 | 0 | 2 | 0 | NA |
1934 | exec - deriv_nonloc.f90:405-409 | deriv_nonlocj_quad4 | InBetween | 0.02 | 0.02 | 0.01 | 34 | 0.00 | 0 | 10.71 | 1 | 1 | 13.22 | 2 | NA | NA | NA | NA | NA | NA |
3820 | exec - distances.f90:49-58 | distances | Single | 0.02 | 0.01 | 0.01 | 37 | 0.00 | 0 | 11.11 | 1 | 1 | 10 | 1 | 1 | 1 | 4 | 0 | 2 | NA |
1986 | exec - nonloc.f90:146-165 | nonloc | Innermost | 0.02 | 0.02 | 0 | 34 | 0.00 | 3.85 | 12.02 | 2.33 | 2.11 | 11.91 | 2 | 5 | 0 | 1 | 9 | 0 | NA |
1962 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.02 | 0.01 | 0 | 41 | 0.00 | 100 | 50 | 1 | 1.41 | 2 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
2306 | exec - multideterminant.f90:634-640 | compute_zmat | InBetween | 0.02 | 0.02 | 0.01 | 51 | 143.00 | 6.67 | 11.88 | 3.25 | 1.85 | 11.03 | 2 | NA | NA | NA | NA | NA | NA |
4499 | exec - optorb.f90:990-1005 | optorb_define | InBetween | 0.02 | 0.02 | 0 | 31 | 0.00 | 0 | 10.71 | 1 | 1 | 11.56 | 2 | NA | NA | NA | NA | NA | NA |
4064 | exec - hpsi.f90:196-199 | hpsi | InBetween | 0.02 | 0.02 | 0.01 | 51 | 113.00 | 7.02 | 12.17 | 4.27 | 1.93 | 11.06 | 2 | NA | NA | NA | NA | NA | NA |
1932 | exec - deriv_nonloc.f90:421-425 | deriv_nonlocj_quad4 | Innermost | 0.02 | 0.03 | 0.01 | 35 | 0.00 | 14.29 | 13.39 | 1.81 | 3.15 | 12.5 | 3 | 3 | 0 | 0 | 4 | 1 | NA |
3835 | exec - multiply_slmi_mderiv.f90:18-33 | multiply_slmi_mderiv_simple | Outermost | 0.02 | 0.01 | 0.01 | 43 | 57.00 | 11.76 | 13.24 | 4.41 | 1 | 13.06 | 1 | NA | NA | NA | NA | NA | NA |
2260 | exec - multideterminant.f90:171-229 [...] | multideterminant_hpsi | Innermost | 0.02 | 0.02 | 0.01 | 35 | 26.00 | 52.38 | 16.67 | 1.03 | 1.49 | 6.93 | 2 | 2 | 6 | 0 | 4 | 2 | NA |
2124 | exec - deriv_jastrow4.f90:171-175 | deriv_jastrow4 | Innermost | 0.02 | 0.02 | 0 | 32 | 0.00 | 16.67 | 13.54 | 1 | 3 | 10.88 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
3813 | exec - distances.f90:131-144 [...] | distances | Single | 0.02 | 0.02 | 0 | 42 | 0.00 | 0 | 11.4 | 1.13 | 1.69 | 2.25 | 2 | 0 | 2 | 1 | 0 | 0 | NA |
2503 | exec - jastrowe.f90:41-51 | jastrowe | Outermost | 0.02 | 0.02 | 0.01 | 41 | 4.00 | 0 | 11.97 | 1 | 1 | 15.05 | 2 | 5 | 0 | 1 | 12 | 0 | NA |
4086 | exec - jastrow4e.f90:329-332 | jastrow4e | Innermost | 0.02 | 0.02 | 0 | 29 | 0.00 | 69.44 | 27.43 | 1.23 | 1.16 | 4.17 | 2 | 2 | 1 | 0 | 1 | 0 | NA |
1968 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.02 | 0.02 | 0 | 39 | 0.00 | 0 | 12.5 | 1 | 1.13 | 8 | 2 | 0 | 3 | 0 | 0 | 0 | NA |
4500 | exec - optorb.f90:999-1000 | optorb_define | Innermost | 0.02 | 0.02 | 0.01 | 41 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2195 | exec - multideterminante.f90:164-164 | multideterminante | Innermost | 0.02 | 0.02 | 0 | 31 | 0.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
1929 | exec - deriv_nonloc.f90:430-432 | deriv_nonlocj_quad4 | Innermost | 0.02 | 0.01 | 0 | 36 | 0.00 | 0 | 12.5 | 1.33 | 2 | 8 | 1 | 0 | 1 | 0 | 1 | 0 | NA |
1926 | exec - deriv_nonloc.f90:267-449 [...] | deriv_nonlocj_quad4 | Outermost | 0.02 | 0.02 | 0.01 | 37 | 9.00 | 11.93 | 14.05 | 3.66 | 1.31 | 10.93 | 2 | NA | NA | NA | NA | NA | NA |
4171 | exec - optjas.f90:68-130 | optjas_deloc | InBetween | 0.02 | 0.01 | 0 | 33 | 0.00 | 2.26 | 12.97 | 10.18 | 1 | 9.94 | 1 | NA | NA | NA | NA | NA | NA |
4548 | exec - get_norbterm.f90:181-194 | get_norbterm | InBetween | 0.02 | 0.02 | 0.01 | 35 | 0.00 | 0 | 10.71 | 1 | 1 | 11.56 | 2 | NA | NA | NA | NA | NA | NA |
1898 | exec - gammai.f90:94-106 | gammai | Single | 0.02 | 0.02 | 0.01 | 50 | 86.00 | 0 | 12.02 | 1 | 5.57 | 9.14 | 2 | 0 | 0 | 0 | 0 | 0 | NA |
2104 | exec - deriv_jastrow4.f90:525-529 | deriv_jastrow4 | Innermost | 0.02 | 0.02 | 0 | 35 | 0.00 | 16.67 | 13.54 | 1 | 3 | 10.88 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
4549 | exec - get_norbterm.f90:190-191 | get_norbterm | Innermost | 0.02 | 0.02 | 0.01 | 42 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
3163 | exec - determinant.f90:262-264 | compute_bmatrices_kin | Innermost | 0.01 | 0.01 | 0 | 15 | 0.00 | 100 | 46.15 | 1 | 1.33 | 2.37 | 1 | 1 | 5 | 0 | 0 | 0 | NA |
3117 | exec - basis_fns.f90:71-71 | basis_fns | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
4037 | exec - jastrow4.f90:313-317 | jastrow_factor4 | Innermost | 0.01 | 0.01 | 0 | 30 | 0.00 | NA | NA | NA | NA | NA | 1 | NA | NA | NA | NA | NA | NA |
1966 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.01 | 0.01 | 0 | 35 | 0.00 | 100 | 50 | 1 | 1.13 | 2 | 0 | 0 | 3 | 0 | 0 | 0 | NA |
3165 | exec - determinante.f90:38-61 | determinante | Outermost | 0.01 | 0.01 | 0 | 21 | 0.00 | 18.33 | 13.44 | 3.71 | 2.68 | 12.87 | 0 | NA | NA | NA | NA | NA | NA |
2244 | exec - multideterminant.f90:270-270 | multideterminant_hpsi | Innermost | 0.01 | 0.01 | 0 | 19 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
5861 | exec - metrop_mov1_slat.f90:346-353 | metrop6 | Innermost | 0.01 | 0.01 | 0 | 38 | 0.00 | 4.55 | 12.22 | 1.14 | 2.52 | 9.14 | 0 | 0.5 | 0 | 0 | 1 | 0 | NA |
2504 | exec - jastrowe.f90:44-45 | jastrowe | Innermost | 0.01 | 0.01 | 0 | 28 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 1 | 0 | NA |
1897 | exec - jassav.f90:18-19 | jassav | Innermost | 0.01 | 0.01 | 0 | 17 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 2 | 0 | NA |
1948 | exec - deriv_nonloc.f90:285-287 | deriv_nonlocj_quad4 | Innermost | 0.01 | 0.01 | 0 | 37 | 0.00 | 16.67 | 14.58 | 1 | 1 | 7.58 | 1 | 1 | 0 | 0 | 0 | 0 | NA |
3817 | exec - distances.f90:68-79 | distances | Outermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 0 | 11.58 | 6.88 | 1 | 12.45 | 0 | NA | NA | NA | NA | NA | NA |
3175 | exec - determinante.f90:51-52 | determinante | Innermost | 0.01 | 0.01 | 0 | 33 | 0.00 | 33.33 | 16.67 | 1 | 1.43 | 6.67 | 1 | 0 | 2 | 0 | 0 | 2 | NA |
4051 | exec - jastrow4.f90:127-132 | jastrow_factor4 | Innermost | 0.01 | 0.02 | 0 | 25 | 0.00 | 16.67 | 13.54 | 1 | 3 | 10.88 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
3193 | exec - determinante.f90:318-321 | determinante_ref_grad | Single | 0.01 | 0.02 | 0 | 21 | 0.00 | 40 | 17.5 | 1 | 1.2 | 6.69 | 2 | 0 | 2 | 0 | 0 | 6 | NA |
2038 | exec - nonloc.f90:1095-1220 [...] | nonlocj_quad4 | Outermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 2.9 | 11.96 | 6.48 | 1 | 8 | 1 | NA | NA | NA | NA | NA | NA |
3160 | exec - determinant.f90:261-264 | compute_bmatrices_kin | InBetween | 0.01 | 0.02 | 0 | 24 | 0.00 | 22.22 | 17.13 | 6.79 | 1 | 12.94 | 0 | NA | NA | NA | NA | NA | NA |
3191 | exec - determinante.f90:142-143 | compute_determinante_grad | Innermost | 0.01 | 0.01 | 0 | 14 | 0.00 | 6.25 | 13.28 | 1 | 1 | 7.78 | 1 | 1 | 0 | 0 | 2 | 0 | NA |
2125 | exec - deriv_jastrow4.f90:134-135 | deriv_jastrow4 | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 0 | 0 | 0 | 0 | 2 | 0 | NA |
5851 | exec - metrop_mov1_slat.f90:254-258 | metrop6 | Innermost | 0.01 | 0.01 | 0 | 30 | 0.00 | 16 | 14.5 | 1 | 1.74 | 2 | 0 | 5 | 0 | 0 | 1 | 0 | NA |
7353 | exec - | for_index | Outermost | 0.01 | 0.01 | 0 | 26 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 0 | NA | NA | NA | NA | NA | NA |
4066 | exec - hpsi.f90:197-199 | hpsi | Innermost | 0.01 | 0.01 | 0 | 36 | 0.00 | 50 | 18.75 | 1 | 1.6 | 6 | 0 | 0 | 0 | 4 | 2 | 0 | NA |
2040 | exec - nonloc.f90:1204-1206 | nonlocj_quad4 | Innermost | 0.01 | 0.01 | 0 | 29 | 0.00 | 0 | 10.71 | 1.06 | 2 | 12.8 | 1 | 3 | 0 | 0 | 1 | 2 | NA |
2213 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.01 | 0.02 | 0 | 38 | 0.00 | 0 | 12.5 | 1 | 3.2 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |
3174 | exec - determinante.f90:51-52 | determinante | Innermost | 0.01 | 0.03 | 0 | 27 | 0.00 | 0 | 12.5 | 1 | 2.91 | 8 | 0 | 0 | 2 | 0 | 0 | 1 | NA |
5227 | exec - optwf_handle_wf.f90:1610-1628 | optwf_store | Single | 0.01 | 0.01 | 0 | 15 | 0.00 | 0 | 8.46 | 1 | 1 | 15.64 | 0 | NA | NA | NA | NA | NA | NA |
4369 | exec - optorb.f90:81-83 | optorb_deriv | Innermost | 0.01 | 0.01 | 0 | 35 | 0.00 | 0 | 12.5 | 1 | 2 | 8 | 0 | 0 | 1 | 0 | 3 | 0 | NA |
3234 | exec - bxmatrices.f90:39-40 | bxmatrix | Innermost | 0.01 | 0.01 | 0 | 13 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 2 | 0 | 0 | 1 | NA |
1888 | exec - jassav.f90:16-53 | jassav | Outermost | 0.01 | 0.01 | 0 | 18 | 0.00 | 4.08 | 9.69 | 1 | 1 | 14.44 | 1 | NA | NA | NA | NA | NA | NA |
3826 | exec - distances.f90:29-32 | distances | Single | 0.01 | 0.01 | 0 | 27 | 0.00 | 7.14 | 13.39 | 4.89 | 1 | 7.33 | 1 | 1 | 1 | 0 | 10 | 0 | NA |
4065 | exec - hpsi.f90:197-199 | hpsi | Innermost | 0.01 | 0.02 | 0 | 25 | 0.00 | 0 | 12.5 | 1 | 2.67 | 8 | 0 | 0 | 2 | 0 | 1 | 0 | NA |
1960 | exec - nonloc.f90:93-274 [...] | nonloc | InBetween | 0.01 | 0.02 | 0 | 31 | 0.00 | 0 | 11.61 | 3.1 | 2.32 | 13 | 0 | NA | NA | NA | NA | NA | NA |
2285 | exec - multideterminant.f90:472-529 [...] | compute_dymat | Single | 0.01 | 0.01 | 0 | 37 | 0.00 | 0 | 12.5 | 1.48 | 2.24 | 8 | 0 | 1 | 3 | 0 | 10 | 1 | NA |
3159 | exec - determinant.f90:274-278 | compute_bmatrices_kin | InBetween | 0.01 | 0.01 | 0 | 26 | 0.00 | 5.57 | 11.12 | 2.5 | 1 | 13.32 | 0 | 1 | 4 | 0 | 1 | 0 | NA |
5834 | exec - metrop_mov1_slat.f90:768-771 | metrop6 | Single | 0.01 | 0.01 | 0 | 22 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 3 | 0 | 0 | 2 | NA |
2219 | exec - multideterminante.f90:235-249 | multideterminante_grad | Outermost | 0.01 | 0.01 | 0 | 22 | 0.00 | 0 | 11.46 | 1 | 1 | 10.67 | 1 | NA | NA | NA | NA | NA | NA |
4196 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.01 | 0.03 | 0 | 46 | 0.00 | 0 | 12.5 | 1 | 2 | 8 | 0 | 0 | 2 | 0 | 2 | 0 | NA |
2031 | exec - nonloc.f90:879-898 | nonlocd_quad | Outermost | 0.01 | 0.01 | 0 | 27 | 0.00 | 40 | 15 | 2.9 | 3.94 | 13.52 | 1 | NA | NA | NA | NA | NA | NA |
4204 | exec - optjas.f90:51-55 | optjas_deloc | Innermost | 0.01 | 0.01 | 0 | 18 | 0.00 | 25 | 15.63 | 1.14 | 1.14 | 6.78 | 0 | 1 | 0 | 0 | 3 | 0 | NA |
4365 | exec - optorb.f90:62-71 [...] | optorb_deriv | Innermost | 0.01 | 0.02 | 0 | 45 | 0.00 | 0 | 10.42 | 1 | 1 | 12.8 | 0 | NA | NA | NA | NA | NA | NA |
3814 | exec - distances.f90:113-125 | distances | Single | 0.01 | 0.02 | 0 | 37 | 0.00 | 0 | 12.5 | 1 | 1.5 | 2 | 0 | 0 | 2 | 1 | 0 | 0 | NA |
1959 | exec - nonloc.f90:252-258 | nonloc | InBetween | 0.01 | 0.01 | 0 | 29 | 0.00 | 0 | 9.72 | 3.41 | 4.27 | 14.93 | 1 | NA | NA | NA | NA | NA | NA |
3823 | exec - distances.f90:38-44 | distances | Single | 0.01 | 0.01 | 0 | 19 | 0.00 | 21.62 | 15.2 | 6.44 | 1 | 7.03 | 1 | 1 | 9 | 9 | 5 | 0 | NA |
2240 | exec - multideterminant.f90:73-276 [...] | multideterminant_hpsi | InBetween | 0.01 | 0.02 | 0 | 24 | 0.00 | 1.32 | 12.21 | 13.07 | 1 | 13.38 | 2 | NA | NA | NA | NA | NA | NA |
1889 | exec - jassav.f90:52-53 | jassav | Innermost | 0.01 | 0.01 | 0 | 17 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 0 | 0 | 2 | 0 | NA |
2984 | exec - readps_gauss.f90:39-48 | getvps_gauss | Innermost | 0.01 | 0.01 | 0 | 41 | 0.00 | 38.46 | 24.52 | 4.12 | 3.41 | 10.15 | 0 | 6 | 0 | 0 | 6 | 0 | NA |
3233 | exec - bxmatrices.f90:37-40 | bxmatrix | InBetween | 0.01 | 0.01 | 0 | 21 | 0.00 | 0 | 10.63 | 1 | 1 | 14.4 | 1 | NA | NA | NA | NA | NA | NA |
3171 | exec - determinante.f90:55-56 | determinante | Innermost | 0.01 | 0.01 | 0 | 30 | 0.00 | 100 | 50 | 1 | 1.41 | 2 | 1 | 0 | 3 | 0 | 0 | 0 | NA |
3815 | exec - distances.f90:91-103 | distances | Innermost | 0.01 | 0.01 | 0 | 41 | 0.00 | 0 | 12.5 | 1 | 1.5 | 2 | 0 | 0 | 2 | 1 | 0 | 0 | NA |
4136 | exec - detsav.f90:61-62 | detsav | Innermost | 0.01 | 0.01 | 0 | 14 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
3358 | exec - nonlpsi.f90:142-144 | psianl | Single | 0.01 | 0.02 | 0 | 31 | 0.00 | 0 | 12.5 | 1 | 4.27 | 8 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2321 | exec - multideterminant.f90:625-628 | compute_zmat | Innermost | 0.01 | 0.01 | 0 | 29 | 0.00 | 0 | 12.5 | 1 | 2 | 8 | 1 | 0 | 1 | 0 | 3 | 0 | NA |
2044 | exec - nonloc.f90:1116-1118 | nonlocj_quad4 | Innermost | 0.01 | 0.02 | 0 | 37 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 1 | 0 | 0 | 0 | 0 | NA |
3839 | exec - multiply_slmi_mderiv.f90:28-29 | multiply_slmi_mderiv_simple | Innermost | 0.01 | 0.01 | 0 | 27 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 0 | 0 | 0 | 0 | 2 | 0 | NA |
3116 | exec - basis_fns.f90:71-71 | basis_fns | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
4152 | exec - optjas.f90:46-174 [...] | optjas_deloc | Outermost | 0.01 | 0.01 | 0 | 23 | 0.00 | 2.84 | 12.32 | 5.8 | 1 | 11.48 | 0 | NA | NA | NA | NA | NA | NA |
2286 | exec - multideterminant.f90:472-483 | compute_dymat | Single | 0.01 | 0.01 | 0 | 30 | 0.00 | 0 | 12.5 | 1.38 | 1.91 | 8 | 0 | 1 | 3 | 0 | 3 | 1 | NA |
3829 | exec - distances.f90:273-290 | distancese_restore | Single | 0.01 | 0.02 | 0 | 27 | 0.00 | 0 | 10.74 | 1 | 1 | 12.44 | 2 | 0 | 0.5 | 0 | 1.5 | 0 | NA |
4601 | exec - optci.f90:64-67 | optci_deloc | Single | 0.01 | 0.02 | 0 | 28 | 0.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 5 | 0 | 0 | 0 | NA |
3250 | exec - deriv_nonlpsi.f90:152-154 | deriv_psianl | Single | 0.01 | 0.01 | 0 | 30 | 0.00 | 0 | 12.5 | 1 | 2.58 | 8 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
4133 | exec - detsav.f90:69-70 | detsav | Innermost | 0.01 | 0.01 | 0 | 15 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 8 | 0 | 0 | 0 | NA |
842 | exec - optwf_sr.f90:496-499 | sr_hs | Innermost | 0.01 | 0.01 | 0 | 44 | 0.00 | 0 | 12.5 | 1.08 | 1.17 | 8 | 0 | 0 | 4 | 0 | 0 | 0 | NA |
2008 | exec - nonloc.f90:469-837 [...] | orbitals_quad | Outermost | 0.01 | 0.02 | 0 | 28 | 0.00 | 6.82 | 13.42 | 5.26 | 1 | 11.64 | 2 | NA | NA | NA | NA | NA | NA |
1965 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.01 | 0.01 | 0 | 35 | 0.00 | 0 | 12.5 | 1 | 1.13 | 8 | 0 | 0 | 3 | 0 | 0 | 0 | NA |
4129 | exec - detsav.f90:85-88 | detsav | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 8.33 | 12.5 | 3 | 1 | 8 | 1 | 1 | 1 | 0 | 9 | 3 | NA |
3170 | exec - determinante.f90:55-56 | determinante | Innermost | 0.01 | 0.01 | 0 | 25 | 0.00 | 0 | 12.5 | 1 | 1.5 | 8 | 0 | 0 | 3 | 0 | 0 | 0 | NA |
3830 | exec - multiply_slmi_mderiv.f90:21-25 | multiply_slmi_mderiv_simple | InBetween | 0.01 | 0.02 | 0 | 28 | 0.00 | 50 | 28.13 | 4 | 1 | 16 | 2 | NA | NA | NA | NA | NA | NA |
2241 | exec - multideterminant.f90:58-305 [...] | multideterminant_hpsi | Outermost | 0.01 | 0.01 | 0 | 17 | 0.00 | 4.85 | 12.26 | 15.95 | 2.11 | 14.11 | 1 | NA | NA | NA | NA | NA | NA |