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 |
---|
2338 | exec - multideterminant.f90:351-356 | compute_ymat | Single | 4.05 | 5.36 | 5 | 52 | 99.76 | 0 | 12.5 | 1 | 1.31 | 8 | 1.08 | 0 | 2 | 0 | 0 | 7 | 1.47 |
3176 | exec - basis_fns.f90:109-130 [...] | basis_fns | Innermost | 3.25 | 4.26 | 4.01 | 52 | 10.78 | 18.18 | 13.64 | 9.39 | 1 | 14.82 | 1.06 | 3 | 0 | 2 | 12 | 0 | NA |
2997 | exec - orbitals.f90:1185-1189 | orbitalse | Innermost | 3.25 | 4.37 | 4.01 | 52 | 355.22 | 100 | 50 | 1 | 1.33 | 2 | 1.09 | 0 | 6 | 0 | 0 | 0 | NA |
4649 | exec - get_norbterm.f90:182-186 | get_norbterm | Innermost | 2.54 | 3.19 | 3.13 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.02 | 0 | 1 | 0 | 0 | 0 | NA |
2944 | exec - orbitals.f90:567-577 [...] | orbitals | Innermost | 2.19 | 2.95 | 2.71 | 52 | 743.07 | 100 | 50 | 1 | 1.33 | 2 | 1.09 | 0 | 6 | 0 | 0 | 0 | NA |
2063 | exec - nonloc.f90:794-795 | orbitals_quad | Innermost | 1.8 | 2.48 | 2.22 | 52 | 443.02 | 100 | 50 | 1 | 1 | 2 | 1.12 | 0 | 2 | 0 | 0 | 0 | NA |
2336 | exec - multideterminant.f90:406-420 | compute_ymat | Single | 1.68 | 2.31 | 2.07 | 52 | 30.54 | 0 | 12.5 | 1.57 | 2.07 | 8 | 1.12 | 1 | 3 | 1 | 5 | 0 | NA |
4599 | exec - optorb.f90:991-995 | optorb_define | Innermost | 1.43 | 1.85 | 1.77 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.05 | 0 | 1 | 0 | 0 | 0 | NA |
2235 | exec - multideterminante.f90:165-168 | multideterminante | Innermost | 1.33 | 1.82 | 1.64 | 52 | 36.12 | 0 | 12.5 | 1 | 1.78 | 8 | 1.12 | 0 | 2 | 0 | 0 | 2 | NA |
2248 | exec - multideterminante.f90:111-131 | multideterminante | Innermost | 1.23 | 1.69 | 1.52 | 52 | 33.64 | 11.11 | 13.89 | 1.33 | 1.6 | 4 | 1.12 | 2 | 5 | 0 | 4 | 0 | NA |
2337 | exec - multideterminant.f90:373-378 | compute_ymat | Single | 0.97 | 1.34 | 1.2 | 52 | 7.91 | 0 | 12.5 | 1.45 | 1.78 | 8 | 1.12 | 1 | 1 | 0 | 5 | 2 | NA |
2060 | exec - nonloc.f90:474-795 [...] | orbitals_quad | InBetween | 0.83 | 1.15 | 1.03 | 52 | 369.11 | 29.17 | 18.62 | 2.36 | 2.96 | 11.11 | 1.13 | NA | NA | NA | NA | NA | NA |
4272 | exec - optjas.f90:127-130 | optjas_deloc | Innermost | 0.72 | 1.04 | 0.89 | 52 | 0.00 | 22.22 | 13.89 | 1 | 1 | 6.4 | 1.17 | 0 | 2 | 0 | 0 | 2 | NA |
6536 | exec - | __powr8i4 | Single | 0.63 | 0.91 | 0.77 | 52 | 22.16 | 0 | 6.25 | 1 | 1 | 16 | 1.18 | 0 | 0 | 0 | 0 | 0 | NA |
2250 | exec - multideterminante.f90:71-76 | multideterminante | Innermost | 0.63 | 0.91 | 0.77 | 52 | 5.27 | 59.09 | 17.61 | 1.15 | 1.37 | 1.83 | 1.18 | 1 | 2 | 0 | 4 | 0 | NA |
2240 | exec - multideterminante.f90:164-164 | multideterminante | Innermost | 0.61 | 0.92 | 0.76 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.23 | 0 | 1 | 0 | 0 | 0 | NA |
2278 | exec - multideterminant.f90:87-116 [...] | multideterminant_hpsi | InBetween | 0.61 | 0.85 | 0.75 | 52 | 114.21 | 7.79 | 12.84 | 3.86 | 2.72 | 22.79 | 1.13 | NA | NA | NA | NA | NA | NA |
2267 | exec - multideterminante.f90:240-249 | multideterminante_grad | InBetween | 0.61 | 0.89 | 0.75 | 52 | 53.13 | 20 | 13.75 | 3.59 | 3.33 | 13.01 | 1.19 | NA | NA | NA | NA | NA | NA |
4220 | exec - detsav.f90:90-91 | detsav | Innermost | 0.59 | 0.87 | 0.72 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.21 | 0 | 2 | 0 | 0 | 0 | NA |
2268 | exec - multideterminante.f90:246-247 | multideterminante_grad | Innermost | 0.58 | 0.81 | 0.71 | 52 | 162.58 | 0 | 12.5 | 1 | 1.25 | 8 | 1.14 | 0 | 2 | 0 | 0 | 0 | NA |
4292 | exec - optjas.f90:83-91 | optjas_deloc | InBetween | 0.58 | 0.88 | 0.72 | 52 | 151.32 | 26.98 | 14.38 | 3.08 | 2.5 | 12.19 | 1.22 | NA | NA | NA | NA | NA | NA |
4275 | exec - optjas.f90:118-120 | optjas_deloc | Innermost | 0.55 | 0.82 | 0.67 | 52 | 19.43 | 0 | 12.5 | 1 | 3.69 | 8 | 1.22 | 0 | 1 | 0 | 1 | 1 | NA |
4462 | exec - optorb.f90:57-83 | optorb_deriv | InBetween | 0.52 | 0.78 | 0.65 | 52 | 88.26 | 4.71 | 12.28 | 5.57 | 2.15 | 12.78 | 1.22 | NA | NA | NA | NA | NA | NA |
2256 | exec - multideterminante.f90:57-63 | multideterminante | InBetween | 0.51 | 0.77 | 0.63 | 52 | 170.05 | 9.09 | 11.51 | 3.09 | 2.07 | 11.96 | 1.22 | NA | NA | NA | NA | NA | NA |
4294 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.48 | 0.69 | 0.59 | 52 | 53.19 | 75 | 29.69 | 1.48 | 1.45 | 4.86 | 1.17 | 1 | 3 | 0 | 7 | 0 | NA |
2258 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.47 | 0.67 | 0.58 | 52 | 56.97 | 46.67 | 18.33 | 1.45 | 1.52 | 6.35 | 1.16 | 0 | 1 | 0 | 6 | 0 | NA |
2922 | exec - orbitals.f90:561-577 [...] | orbitals | InBetween | 0.43 | 0.65 | 0.53 | 52 | 400.91 | 22.39 | 14.48 | 2.87 | 3.09 | 24.97 | 1.23 | NA | NA | NA | NA | NA | NA |
4277 | exec - optjas.f90:103-107 | optjas_deloc | Innermost | 0.43 | 0.62 | 0.53 | 52 | 4.79 | 0 | 12.5 | 1.5 | 2.53 | 8 | 1.19 | 1 | 2 | 0 | 3 | 0 | NA |
4269 | exec - optjas.f90:153-156 | optjas_deloc | Innermost | 0.42 | 0.68 | 0.52 | 52 | 239.29 | 100 | 50 | 1 | 1.05 | 2 | 1.31 | 0 | 5 | 0 | 0 | 0 | NA |
4274 | exec - optjas.f90:116-120 | optjas_deloc | InBetween | 0.41 | 0.62 | 0.5 | 52 | 15.64 | 17.14 | 14.29 | 3 | 2.06 | 10.13 | 1.24 | NA | NA | NA | NA | NA | NA |
4227 | exec - detsav.f90:69-70 | detsav | Innermost | 0.38 | 0.63 | 0.47 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.37 | 0 | 8 | 0 | 0 | 0 | NA |
4273 | exec - optjas.f90:112-123 | optjas_deloc | InBetween | 0.37 | 0.55 | 0.46 | 52 | 25.76 | 0 | 12.22 | 7 | 1 | 8.3 | 1.2 | NA | NA | NA | NA | NA | NA |
2273 | exec - multideterminante.f90:242-243 | multideterminante_grad | Innermost | 0.37 | 0.56 | 0.46 | 52 | 56.13 | 33.33 | 16.67 | 1 | 1.43 | 6.67 | 1.24 | 0 | 2 | 0 | 0 | 1 | NA |
3056 | exec - determinante_psit.f90:24-25 | determinante_psit | Single | 0.36 | 0.57 | 0.45 | 52 | 216.27 | 100 | 50 | 1 | 1 | 2 | 1.27 | 0 | 3 | 0 | 0 | 0 | NA |
3052 | exec - determinante_psit.f90:28-29 | determinante_psit | Single | 0.36 | 0.53 | 0.44 | 52 | 229.36 | 100 | 50 | 1 | 1 | 2 | 1.2 | 0 | 3 | 0 | 0 | 0 | NA |
4467 | exec - optorb.f90:70-72 | optorb_deriv | Innermost | 0.32 | 0.46 | 0.39 | 52 | 19.85 | 45.45 | 18.18 | 1 | 1.36 | 6.16 | 1.18 | 1 | 1 | 0 | 3 | 0 | NA |
2263 | exec - multideterminante.f90:243-259 [...] | multideterminante_grad | InBetween | 0.31 | 0.49 | 0.38 | 52 | 53.68 | 0 | 12.11 | 1 | 1 | 13.3 | 1.29 | NA | NA | NA | NA | NA | NA |
2310 | exec - multideterminant.f90:106-112 | multideterminant_hpsi | Innermost | 0.3 | 0.44 | 0.36 | 52 | 78.39 | 50 | 18.75 | 1.3 | 1.37 | 6.29 | 1.22 | 1 | 3 | 2 | 2 | 2 | NA |
2265 | exec - multideterminante.f90:258-259 | multideterminante_grad | Innermost | 0.3 | 0.46 | 0.36 | 52 | 175.33 | 33.33 | 16.67 | 1.25 | 1.25 | 6.81 | 1.28 | 0 | 1 | 0 | 2 | 0 | NA |
2284 | exec - multideterminant.f90:271-276 | multideterminant_hpsi | Innermost | 0.3 | 0.48 | 0.37 | 52 | 31.19 | 0 | 12.5 | 1 | 1.08 | 8 | 1.3 | 0 | 2 | 0 | 0 | 5 | NA |
4293 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.29 | 0.48 | 0.36 | 52 | 299.58 | 0 | 12.5 | 1.06 | 1.42 | 8 | 1.33 | 0 | 3 | 0 | 2 | 0 | NA |
2272 | exec - multideterminante.f90:242-243 | multideterminante_grad | Innermost | 0.26 | 0.43 | 0.32 | 52 | 73.97 | 0 | 12.5 | 1 | 3.2 | 8 | 1.34 | 0 | 2 | 0 | 0 | 1 | NA |
2302 | exec - multideterminant.f90:171-229 [...] | multideterminant_hpsi | Innermost | 0.26 | 0.42 | 0.32 | 52 | 33.81 | 52.38 | 16.67 | 1.03 | 1.48 | 6.89 | 1.35 | 2 | 6 | 0 | 4 | 2 | NA |
2264 | exec - multideterminante.f90:258-259 | multideterminante_grad | Innermost | 0.26 | 0.4 | 0.32 | 52 | 80.56 | 0 | 12.5 | 1 | 3.46 | 8 | 1.25 | 0 | 1 | 0 | 1 | 0 | NA |
2257 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.25 | 0.46 | 0.31 | 52 | 11.19 | 0 | 12.5 | 1 | 2.67 | 8 | 1.48 | 0 | 1 | 0 | 1 | 0 | NA |
3177 | exec - basis_fns.f90:101-103 | basis_fns | Innermost | 0.23 | 0.38 | 0.28 | 52 | 4.57 | 16.67 | 13.54 | 1 | 1 | 13.26 | 1.36 | 0 | 0 | 0 | 1 | 0 | NA |
4597 | exec - optorb.f90:990-1005 | optorb_define | InBetween | 0.21 | 0.33 | 0.26 | 52 | 0.00 | 0 | 10.71 | 1 | 1 | 11.56 | 1.27 | NA | NA | NA | NA | NA | NA |
4224 | exec - detsav.f90:62-80 [...] | detsav | InBetween | 0.21 | 0.36 | 0.26 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.38 | NA | NA | NA | NA | NA | NA |
2252 | exec - multideterminante.f90:45-65 [...] | multideterminante | InBetween | 0.21 | 0.35 | 0.26 | 52 | 182.19 | 17.5 | 12.81 | 3.84 | 2.81 | 13.36 | 1.35 | NA | NA | NA | NA | NA | NA |
4647 | exec - get_norbterm.f90:181-194 | get_norbterm | InBetween | 0.2 | 0.35 | 0.24 | 52 | 0.00 | 0 | 10.71 | 1 | 1 | 11.56 | 1.46 | NA | NA | NA | NA | NA | NA |
4460 | exec - optorb.f90:49-92 [...] | optorb_deriv | Outermost | 0.19 | 0.3 | 0.23 | 52 | 160.87 | 13.33 | 13.96 | 6.57 | 1 | 8.18 | 1.3 | NA | NA | NA | NA | NA | NA |
4234 | exec - detsav.f90:51-53 | detsav | Innermost | 0.18 | 0.31 | 0.22 | 52 | 0.00 | 33.33 | 16.67 | 3 | 1 | 6 | 1.41 | 0 | 2 | 0 | 3 | 0 | NA |
4598 | exec - optorb.f90:999-1000 | optorb_define | Innermost | 0.18 | 0.28 | 0.23 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.22 | 0 | 1 | 0 | 0 | 0 | NA |
4288 | exec - optjas.f90:76-94 [...] | optjas_deloc | InBetween | 0.16 | 0.26 | 0.2 | 52 | 91.65 | 9.09 | 12.22 | 4.33 | 1.69 | 13.48 | 1.3 | NA | NA | NA | NA | NA | NA |
4178 | exec - jastrow4e.f90:77-296 [...] | jastrow4e | Outermost | 0.16 | 0.24 | 0.2 | 52 | 33.75 | 12.18 | 12.92 | 2.44 | 2.03 | 10.54 | 1.26 | NA | NA | NA | NA | NA | NA |
3169 | exec - basis_fns.f90:80-158 [...] | basis_fns | InBetween | 0.15 | 0.24 | 0.18 | 52 | 14.44 | 0 | 11.41 | 10.82 | 1 | 8.66 | 1.33 | NA | NA | NA | NA | NA | NA |
7952 | exec - | __intel_avx_rep_memset | Single | 0.15 | 0.23 | 0.18 | 52 | 0.11 | 100 | 50 | 1 | 1 | 2 | 1.28 | 0 | 1 | 0 | 0 | 0 | NA |
4648 | exec - get_norbterm.f90:190-191 | get_norbterm | Innermost | 0.15 | 0.23 | 0.18 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.28 | 0 | 1 | 0 | 0 | 0 | NA |
2305 | exec - multideterminant.f90:155-161 | multideterminant_hpsi | Innermost | 0.14 | 0.24 | 0.17 | 52 | 4.12 | 52 | 16 | 1.17 | 1.6 | 2.56 | 1.41 | 0 | 3 | 0 | 5 | 0 | NA |
5992 | exec - metrop_mov1_slat.f90:147-665 [...] | metrop6 | Outermost | 0.13 | 0.21 | 0.16 | 52 | 10.25 | 9.75 | 13.15 | 2.32 | 2.35 | 4.34 | 1.31 | NA | NA | NA | NA | NA | NA |
2289 | exec - multideterminant.f90:269-269 | multideterminant_hpsi | Innermost | 0.13 | 0.23 | 0.15 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.53 | 0 | 0 | 2 | 0 | 0 | NA |
2286 | exec - multideterminant.f90:270-270 | multideterminant_hpsi | Innermost | 0.12 | 0.22 | 0.15 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.47 | 0 | 1 | 0 | 0 | 0 | NA |
3178 | exec - basis_fns.f90:91-98 | basis_fns | Innermost | 0.12 | 0.22 | 0.14 | 52 | 14.00 | 30 | 20 | 2.22 | 1 | 11.87 | 1.57 | 3 | 0 | 0 | 1.5 | 0 | NA |
2351 | exec - multideterminant.f90:637-640 | compute_zmat | Innermost | 0.12 | 0.23 | 0.15 | 52 | 173.60 | 56.76 | 19.59 | 1.43 | 1.46 | 5.98 | 1.53 | 1 | 2 | 0 | 3 | 0 | NA |
1970 | exec - deriv_nonloc.f90:267-415 [...] | deriv_nonlocj_quad4 | InBetween | 0.12 | 0.2 | 0.15 | 52 | 5.67 | 1.97 | 11.23 | 4.6 | 1.61 | 13.02 | 1.33 | NA | NA | NA | NA | NA | NA |
2995 | exec - orbitals.f90:1180-1189 | orbitalse | Outermost | 0.11 | 0.2 | 0.14 | 52 | 729.36 | 27.18 | 15.59 | 1.68 | 1.83 | 9.51 | 1.43 | NA | NA | NA | NA | NA | NA |
4466 | exec - optorb.f90:70-72 | optorb_deriv | Innermost | 0.11 | 0.2 | 0.14 | 52 | 218.07 | 0 | 12.5 | 1 | 2 | 8 | 1.43 | 0 | 1 | 0 | 3 | 0 | NA |
4704 | exec - optci.f90:55-57 | optci_deloc | Single | 0.11 | 0.2 | 0.13 | 52 | 63.08 | 100 | 50 | 1 | 1.32 | 2 | 1.54 | 0 | 6 | 0 | 0 | 0 | NA |
3220 | exec - determinant.f90:275-276 | compute_bmatrices_kin | Innermost | 0.11 | 0.2 | 0.13 | 52 | 190.31 | 100 | 50 | 1 | 1.25 | 2 | 1.54 | 0 | 4 | 0 | 0 | 0 | NA |
4232 | exec - detsav.f90:50-53 | detsav | InBetween | 0.1 | 0.18 | 0.12 | 52 | 0.00 | 0 | 11.41 | 1 | 1 | 13.82 | 1.5 | NA | NA | NA | NA | NA | NA |
4225 | exec - detsav.f90:79-79 | detsav | Innermost | 0.1 | 0.16 | 0.12 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.33 | 0 | 0 | 0 | 4 | 0 | NA |
4701 | exec - optci.f90:64-67 | optci_deloc | Single | 0.09 | 0.18 | 0.12 | 52 | 28.00 | 100 | 50 | 1 | 1 | 2 | 1.5 | 0 | 5 | 0 | 0 | 0 | NA |
2365 | exec - multideterminant.f90:704-706 | idiff | Single | 0.09 | 0.15 | 0.11 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.36 | 0 | 4 | 0 | 0 | 0 | NA |
3170 | exec - basis_fns.f90:62-226 [...] | basis_fns | Outermost | 0.09 | 0.18 | 0.11 | 52 | 3.73 | 4.79 | 11.9 | 5.51 | 1 | 13.23 | 1.64 | NA | NA | NA | NA | NA | NA |
7951 | exec - | __intel_avx_rep_memcpy | Single | 0.09 | 0.15 | 0.11 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.36 | 0 | 2 | 0 | 0 | 0 | NA |
1728 | exec - set_input_data.f90:233-234 | multideterminants_define | Innermost | 0.09 | 0.15 | 0.11 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 1.36 | 1 | 0 | 0 | 1 | 0 | NA |
4505 | exec - optorb.f90:170-173 | optorb_sum | Innermost | 0.08 | 0.16 | 0.1 | 52 | 60.80 | 100 | 50 | 1 | 1.04 | 2 | 1.6 | 0 | 6 | 0 | 0 | 0 | NA |
2360 | exec - multideterminant.f90:622-630 | compute_zmat | InBetween | 0.08 | 0.17 | 0.1 | 52 | 157.20 | 5.13 | 12.18 | 4.6 | 2.4 | 12.52 | 1.7 | NA | NA | NA | NA | NA | NA |
2362 | exec - multideterminant.f90:625-628 | compute_zmat | Innermost | 0.08 | 0.17 | 0.1 | 52 | 35.60 | 45.45 | 18.18 | 1.11 | 1.47 | 6.37 | 1.7 | 1 | 0 | 2 | 6 | 0 | NA |
4290 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.07 | 0.15 | 0.09 | 52 | 30.56 | 48.39 | 18.55 | 1.06 | 1.33 | 6.33 | 1.67 | 1 | 2 | 0 | 3 | 0 | NA |
4217 | exec - detsav.f90:95-99 | detsav | Innermost | 0.07 | 0.15 | 0.09 | 52 | 0.00 | 66.67 | 35.42 | 1 | 1 | 3.5 | 1.67 | 0 | 7 | 0 | 8 | 0 | NA |
2004 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.07 | 0.12 | 0.09 | 52 | 312.56 | 100 | 50 | 1 | 1 | 2 | 1.33 | 0 | 3 | 0 | 0 | 0 | NA |
2234 | exec - multideterminante.f90:179-180 | multideterminante | Innermost | 0.06 | 0.12 | 0.08 | 52 | 0.00 | 33.33 | 16.67 | 1 | 1 | 8 | 1.5 | 0 | 1 | 0 | 2 | 0 | NA |
853 | exec - optwf_sr.f90:496-499 | sr_hs | Innermost | 0.06 | 0.1 | 0.07 | 52 | 161.71 | 0 | 12.5 | 1.08 | 1.17 | 8 | 1.43 | 0 | 4 | 0 | 0 | 0 | NA |
2260 | exec - multideterminante.f90:51-53 | multideterminante | Innermost | 0.06 | 0.15 | 0.08 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.88 | 0 | 2 | 0 | 2 | 0 | NA |
2327 | exec - multideterminant.f90:472-529 [...] | compute_dymat | Single | 0.06 | 0.13 | 0.07 | 52 | 183.29 | 0 | 12.5 | 1.46 | 2.2 | 8 | 1.86 | 1 | 4 | 0 | 9 | 1 | NA |
2081 | exec - nonloc.f90:1192-1194 | nonlocj_quad4 | Innermost | 0.06 | 0.12 | 0.07 | 52 | 23.71 | 0 | 10.71 | 1.38 | 2.59 | 14 | 1.71 | 3 | 0 | 0 | 2 | 1 | NA |
2259 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.05 | 0.11 | 0.07 | 52 | 252.71 | 0 | 12.5 | 1 | 2.67 | 8 | 1.57 | 0 | 1 | 0 | 1 | 0 | NA |
2232 | exec - multideterminante.f90:3-184 [...] | multideterminante | Outermost | 0.05 | 0.11 | 0.06 | 52 | 5.67 | 2.01 | 11.65 | 9.09 | 2.06 | 13.71 | 1.83 | NA | NA | NA | NA | NA | NA |
3184 | exec - determinant_psit.f90:19-20 | determinant_psit | Single | 0.05 | 0.11 | 0.07 | 52 | 124.57 | 100 | 50 | 1 | 1 | 2 | 1.57 | 0 | 3 | 0 | 0 | 0 | NA |
2254 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.05 | 0.11 | 0.06 | 52 | 102.00 | 33.33 | 16.67 | 1.29 | 1.29 | 6.86 | 1.83 | 0 | 1 | 0 | 2 | 0 | NA |
2277 | exec - multideterminant.f90:106-112 | multideterminant_hpsi | Innermost | 0.05 | 0.11 | 0.06 | 52 | 0.00 | 0 | 12.5 | 1.25 | 1.6 | 8 | 1.83 | 1 | 3 | 0 | 3 | 0 | NA |
2943 | exec - orbitals.f90:567-577 [...] | orbitals | Innermost | 0.05 | 0.09 | 0.06 | 52 | 147.33 | 0 | 12.5 | 1 | 1.33 | 8 | 1.5 | 0 | 6 | 0 | 0 | 0 | NA |
4464 | exec - optorb.f90:81-83 | optorb_deriv | Innermost | 0.04 | 0.09 | 0.06 | 52 | 12.67 | 50 | 18.75 | 1.04 | 1.32 | 6 | 1.5 | 2 | 1 | 0 | 3 | 0 | NA |
2148 | exec - deriv_jastrow4.f90:105-486 [...] | deriv_jastrow4 | InBetween | 0.04 | 0.08 | 0.05 | 52 | 54.20 | 3.65 | 12.39 | 2.57 | 1.45 | 6.16 | 1.6 | NA | NA | NA | NA | NA | NA |
2080 | exec - nonloc.f90:1095-1199 [...] | nonlocj_quad4 | InBetween | 0.04 | 0.09 | 0.05 | 52 | 13.20 | 0 | 11.34 | 2.98 | 1.6 | 7.9 | 1.8 | NA | NA | NA | NA | NA | NA |
2361 | exec - multideterminant.f90:625-628 | compute_zmat | Innermost | 0.04 | 0.1 | 0.05 | 52 | 228.60 | 0 | 12.5 | 1 | 2 | 8 | 2 | 0 | 1 | 0 | 3 | 0 | NA |
3299 | exec - bxmatrices.f90:39-40 | bxmatrix | Innermost | 0.04 | 0.1 | 0.05 | 52 | 0.00 | 33.33 | 16.67 | 1 | 1 | 7.11 | 2 | 0 | 2 | 0 | 0 | 1 | NA |
3916 | exec - multiply_slmi_mderiv.f90:28-33 | multiply_slmi_mderiv_simple | InBetween | 0.04 | 0.09 | 0.05 | 52 | 77.60 | 16.22 | 11.82 | 2.85 | 2.28 | 11.84 | 1.8 | NA | NA | NA | NA | NA | NA |
1930 | exec - jassav.f90:32-38 | jassav | Innermost | 0.04 | 0.08 | 0.05 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 1.6 | 1 | 0 | 0 | 4 | 0 | NA |
3919 | exec - multiply_slmi_mderiv.f90:31-33 | multiply_slmi_mderiv_simple | Innermost | 0.04 | 0.07 | 0.05 | 52 | 152.60 | 33.33 | 16.67 | 1.44 | 1.5 | 7.03 | 1.4 | 0 | 1 | 0 | 4 | 0 | NA |
2328 | exec - multideterminant.f90:472-483 | compute_dymat | Single | 0.04 | 0.07 | 0.05 | 52 | 22.00 | 0 | 12.5 | 1.38 | 1.91 | 8 | 1.4 | 1 | 3 | 0 | 2 | 2 | NA |
2064 | exec - nonloc.f90:794-795 | orbitals_quad | Innermost | 0.04 | 0.07 | 0.04 | 52 | 14.25 | 0 | 12.5 | 1 | 3.46 | 8 | 1.75 | 0 | 2 | 0 | 0 | 0 | NA |
4233 | exec - detsav.f90:51-53 | detsav | Innermost | 0.04 | 0.17 | 0.05 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 3.4 | 0 | 2 | 0 | 2 | 0 | NA |
4230 | exec - detsav.f90:61-62 | detsav | Innermost | 0.04 | 0.09 | 0.05 | 52 | 0.00 | 100 | 50 | 1 | 1 | 2 | 1.8 | 0 | 2 | 0 | 0 | 0 | NA |
2061 | exec - nonloc.f90:794-795 | orbitals_quad | Innermost | 0.03 | 0.07 | 0.04 | 52 | 132.25 | 0 | 12.5 | 1 | 2.91 | 8 | 1.75 | 0 | 2 | 0 | 0 | 0 | NA |
852 | exec - optwf_sr.f90:501-505 | sr_hs | Innermost | 0.03 | 0.07 | 0.04 | 52 | 170.25 | 0 | 12.5 | 1 | 1.08 | 8 | 1.75 | 0 | 4 | 0 | 0 | 0 | NA |
2923 | exec - orbitals.f90:561-562 | orbitals | Innermost | 0.03 | 0.08 | 0.04 | 52 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 0 | 0 | 0 | 2 | NA |
2939 | exec - orbitals.f90:580-580 | orbitals | Innermost | 0.03 | 0.07 | 0.03 | 52 | 0.00 | 33.33 | 16.67 | 1 | 1 | 8 | 2.33 | 0 | 1 | 0 | 2 | 0 | NA |
2253 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.03 | 0.07 | 0.04 | 52 | 12.00 | 0 | 12.5 | 1 | 3.46 | 8 | 1.75 | 0 | 1 | 0 | 1 | 0 | NA |
1975 | exec - deriv_nonloc.f90:316-401 [...] | deriv_nonlocj_quad4 | Innermost | 0.03 | 0.07 | 0.04 | 52 | 17.50 | 0 | 9.53 | 1.56 | 2.59 | 14.72 | 1.75 | 2.75 | 1.5 | 0 | 4.25 | 0 | NA |
2996 | exec - orbitals.f90:1185-1189 | orbitalse | Innermost | 0.03 | 0.06 | 0.03 | 52 | 839.33 | 0 | 12.5 | 1 | 1.33 | 8 | 2 | 0 | 6 | 0 | 0 | 0 | NA |
4171 | exec - jastrow4e.f90:95-354 [...] | jastrow4e | Outermost | 0.03 | 0.06 | 0.04 | 52 | 17.25 | 25.79 | 16.51 | 1.89 | 2.15 | 7.25 | 1.5 | NA | NA | NA | NA | NA | NA |
3914 | exec - multiply_slmi_mderiv.f90:21-25 | multiply_slmi_mderiv_simple | InBetween | 0.03 | 0.06 | 0.04 | 52 | 67.00 | 37.84 | 19.76 | 1.87 | 3.19 | 10.67 | 1.5 | NA | NA | NA | NA | NA | NA |
3325 | exec - deriv_nonlpsi.f90:243-257 | deriv_psibnl | Single | 0.03 | 0.07 | 0.03 | 52 | 34.67 | 6.73 | 11.25 | 1.42 | 1.68 | 4.87 | 2.33 | 1.33 | 2.33 | 0 | 0 | 0.33 | NA |
3047 | exec - readps_gauss.f90:72-86 | gauss_pot | Single | 0.03 | 0.07 | 0.03 | 52 | 49.33 | 14.01 | 13.37 | 1.19 | 1.63 | 6.52 | 2.33 | 2 | 2.5 | 0 | 0 | 0 | NA |
4289 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.03 | 0.08 | 0.04 | 52 | 290.50 | 0 | 12.5 | 1 | 2 | 8 | 2 | 0 | 2 | 0 | 2 | 0 | NA |
4155 | exec - hpsi.f90:197-199 | hpsi | Innermost | 0.03 | 0.06 | 0.03 | 52 | 34.33 | 42.86 | 25 | 1 | 1.33 | 5.2 | 2 | 0 | 2 | 0 | 2 | 0 | NA |
2007 | exec - nonloc.f90:257-258 | nonloc | Innermost | 0.03 | 0.08 | 0.04 | 52 | 122.25 | 100 | 50 | 1 | 1.41 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
1936 | exec - gammai.f90:74-78 | gammai | Single | 0.03 | 0.06 | 0.03 | 52 | 39.33 | 0 | 12.5 | 1 | 8 | 8 | 2 | 0 | 0 | 0 | 0 | 0 | NA |
3226 | exec - determinant.f90:262-264 | compute_bmatrices_kin | Innermost | 0.02 | 0.05 | 0.03 | 52 | 247.33 | 100 | 50 | 1.05 | 1.1 | 2 | 1.67 | 0 | 5 | 0 | 1 | 0 | NA |
2142 | exec - deriv_jastrow4.f90:271-617 [...] | deriv_jastrow4 | InBetween | 0.02 | 0.05 | 0.02 | 52 | 77.00 | 2.75 | 12.56 | 3.15 | 1.83 | 6.3 | 2.5 | NA | NA | NA | NA | NA | NA |
2164 | exec - deriv_jastrow4.f90:191-256 | deriv_jastrow4 | Innermost | 0.02 | 0.05 | 0.03 | 52 | 53.00 | 5.63 | 12.85 | 1 | 2 | 2 | 1.67 | NA | NA | NA | NA | NA | NA |
3902 | exec - distances.f90:49-58 | distances | Single | 0.02 | 0.05 | 0.02 | 52 | 0.00 | 0 | 11.11 | 1 | 1 | 10 | 2.5 | 1 | 1 | 4 | 0 | 2 | NA |
4611 | exec - optorb.f90:931-932 | optorb_define | Innermost | 0.02 | 0.04 | 0.03 | 52 | 0.00 | 100 | 50 | 1.07 | 1 | 2 | 1.33 | 0 | 1 | 0 | 0 | 0 | NA |
3911 | exec - distances.f90:273-290 | distancese_restore | Single | 0.02 | 0.05 | 0.02 | 51 | 0.00 | 0 | 10.74 | 1 | 1 | 12.44 | 2.5 | 0 | 0.5 | 0 | 1.5 | 0 | NA |
4468 | exec - optorb.f90:70-72 | optorb_deriv | Innermost | 0.02 | 0.04 | 0.03 | 52 | 187.67 | 0 | 12.5 | 1 | 2 | 8 | 1.33 | 0 | 1 | 0 | 3 | 0 | NA |
3045 | exec - readps_gauss.f90:22-48 | getvps_gauss | Outermost | 0.02 | 0.05 | 0.02 | 52 | 67.00 | 13.1 | 13.67 | 4.11 | 2.51 | 12.48 | 2.5 | 3 | 0 | 2 | 16.33 | 0 | NA |
4662 | exec - get_norbterm.f90:124-125 | get_norbterm | Innermost | 0.02 | 0.05 | 0.02 | 52 | 0.00 | 100 | 50 | 1.07 | 1 | 2 | 2.5 | 0 | 1 | 0 | 0 | 0 | NA |
1976 | exec - deriv_nonloc.f90:387-390 | deriv_nonlocj_quad4 | Innermost | 0.02 | 0.05 | 0.02 | 52 | 17.50 | 0 | 12.5 | 1.33 | 2 | 8 | 2.5 | 0 | 1 | 0 | 1 | 0 | NA |
4458 | exec - optorb.f90:123-125 | optorb_compute | Innermost | 0.02 | 0.06 | 0.03 | 52 | 100.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 3 | 0 | 0 | 0 | NA |
4610 | exec - optorb.f90:931-932 | optorb_define | Innermost | 0.02 | 0.04 | 0.02 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2 | 0.5 | 1 | 0 | 0 | 0 | NA |
4126 | exec - jastrow4.f90:79-272 | jastrow_factor4 | InBetween | 0.02 | 0.05 | 0.02 | 52 | 101.50 | 4.42 | 12.29 | 2.11 | 1.53 | 7.89 | 2.5 | NA | NA | NA | NA | NA | NA |
3908 | exec - distances.f90:29-32 | distances | Single | 0.02 | 0.05 | 0.02 | 52 | 0.00 | 7.14 | 13.39 | 4.89 | 1 | 7.33 | 2.5 | 1 | 1 | 0 | 10 | 0 | NA |
7280 | exec - | for_check_mult_overflow64 | Single | 0.02 | 0.06 | 0.03 | 52 | 0.00 | 0 | 10.72 | 1 | 1 | 11.89 | 2 | 1 | 0 | 0 | 1 | 0 | NA |
3922 | exec - multiply_slmi_mderiv.f90:24-25 | multiply_slmi_mderiv_simple | Innermost | 0.02 | 0.06 | 0.03 | 52 | 211.67 | 0 | 12.5 | 1 | 2.91 | 8 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
4122 | exec - jastrow4.f90:162-343 [...] | jastrow_factor4 | InBetween | 0.02 | 0.06 | 0.02 | 52 | 88.50 | 23.91 | 16.35 | 2.18 | 1.75 | 5.54 | 3 | NA | NA | NA | NA | NA | NA |
3918 | exec - multiply_slmi_mderiv.f90:31-33 | multiply_slmi_mderiv_simple | Innermost | 0.02 | 0.05 | 0.03 | 52 | 41.00 | 0 | 12.5 | 1 | 3.2 | 8 | 1.67 | 0 | 1 | 0 | 1 | 0 | NA |
2038 | exec - nonloc.f90:377-385 | distance_quad | Single | 0.02 | 0.05 | 0.03 | 52 | 32.00 | 33.77 | 19.04 | 1 | 1 | 2.67 | 1.67 | 1 | 0 | 0 | 25 | 0 | NA |
2279 | exec - multideterminant.f90:87-116 [...] | multideterminant_hpsi | InBetween | 0.02 | 0.05 | 0.02 | 52 | 61.50 | 3.13 | 12.11 | 4.64 | 1 | 13.16 | 2.5 | NA | NA | NA | NA | NA | NA |
4463 | exec - optorb.f90:81-83 | optorb_deriv | Innermost | 0.02 | 0.05 | 0.02 | 51 | 155.50 | 0 | 12.5 | 1 | 2 | 8 | 2.5 | 0 | 1 | 0 | 3 | 0 | NA |
2017 | exec - nonloc.f90:134-301 [...] | nonloc | InBetween | 0.02 | 0.05 | 0.02 | 51 | 1.00 | 7.79 | 11.55 | 4.83 | 1.93 | 18.72 | 2.5 | NA | NA | NA | NA | NA | NA |
4661 | exec - get_norbterm.f90:124-125 | get_norbterm | Innermost | 0.02 | 0.04 | 0.02 | 50 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 2 | 0.5 | 1 | 0 | 0 | 0 | NA |
4609 | exec - optorb.f90:930-932 | optorb_define | InBetween | 0.01 | 0.03 | 0.01 | 44 | 0.00 | 7.14 | 13.84 | 2.8 | 1 | 12.44 | 3 | NA | NA | NA | NA | NA | NA |
4154 | exec - hpsi.f90:197-199 | hpsi | Innermost | 0.01 | 0.03 | 0.01 | 50 | 65.00 | 0 | 12.5 | 1 | 2.67 | 8 | 3 | 0 | 2 | 0 | 1 | 0 | NA |
3425 | exec - nonlpsi.f90:195-197 | psibnl | Single | 0.01 | 0.03 | 0.01 | 44 | 1.00 | 0 | 12.5 | 1 | 4.27 | 8 | 3 | 0 | 1 | 0 | 0 | 0 | NA |
3193 | exec - determinant.f90:67-93 [...] | determinant | Innermost | 0.01 | 0.02 | 0.01 | 42 | 12.00 | 0 | 12.5 | 16.63 | 1 | 8 | 2 | 2 | 0 | 0 | 11 | 0 | NA |
6000 | exec - metrop_mov1_slat.f90:346-353 | metrop6 | Innermost | 0.01 | 0.02 | 0.01 | 41 | 14.00 | 4.55 | 12.22 | 1.14 | 2.52 | 9.14 | 2 | 0.5 | 0 | 0 | 1 | 0 | NA |
3194 | exec - determinant.f90:65-78 | determinant | Innermost | 0.01 | 0.02 | 0.01 | 38 | 0.00 | 0 | 11.67 | 1 | 1 | 14.11 | 2 | 2 | 0 | 0 | 7 | 0 | NA |
1991 | exec - nonloc.f90:93-285 [...] | nonloc | Outermost | 0.01 | 0.03 | 0.01 | 48 | 100.00 | 0.8 | 11.45 | 6.01 | 1.32 | 11.18 | 3 | NA | NA | NA | NA | NA | NA |
3894 | exec - distances.f90:131-144 [...] | distances | Single | 0.01 | 0.04 | 0.01 | 52 | 38.00 | 0 | 11.4 | 1.13 | 1.69 | 2.25 | 4 | 0 | 2 | 1 | 0 | 0 | NA |
3217 | exec - determinant.f90:274-278 | compute_bmatrices_kin | InBetween | 0.01 | 0.02 | 0.01 | 49 | 180.00 | 0 | 10.12 | 3.65 | 1 | 14.07 | 2 | NA | NA | NA | NA | NA | NA |
1999 | exec - nonloc.f90:272-274 | nonloc | Innermost | 0.01 | 0.02 | 0.01 | 49 | 206.00 | 100 | 50 | 1 | 1.41 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
3221 | exec - determinant.f90:275-276 | compute_bmatrices_kin | Innermost | 0.01 | 0.03 | 0.01 | 43 | 14.00 | 0 | 12.5 | 1 | 1.5 | 8 | 3 | 0 | 4 | 0 | 0 | 0 | NA |
3232 | exec - determinante.f90:47-56 | determinante | InBetween | 0.01 | 0.03 | 0.01 | 51 | 84.00 | 25 | 13.39 | 3.44 | 3.92 | 13.87 | 3 | NA | NA | NA | NA | NA | NA |
2047 | exec - nonloc.f90:469-837 [...] | orbitals_quad | Outermost | 0.01 | 0.03 | 0.01 | 45 | 4.00 | 6.98 | 13.3 | 4.91 | 1 | 11.77 | 1.5 | NA | NA | NA | NA | NA | NA |
3256 | exec - determinante.f90:318-321 | determinante_ref_grad | Single | 0.01 | 0.03 | 0.02 | 52 | 4.00 | 40 | 17.5 | 1 | 1.2 | 6.69 | 1.5 | 0 | 2 | 0 | 0 | 6 | NA |
2334 | exec - multideterminant.f90:378-436 [...] | compute_ymat | InBetween | 0.01 | 0.03 | 0.01 | 42 | 12.00 | 0 | 9.65 | 1.64 | 1.6 | 13.89 | 3 | 1 | 1 | 2 | 1.5 | 0 | NA |
4461 | exec - optorb.f90:62-71 [...] | optorb_deriv | Innermost | 0.01 | 0.02 | 0.01 | 49 | 22.00 | 0 | 10.42 | 1 | 1 | 12.8 | 2 | NA | NA | NA | NA | NA | NA |
4214 | exec - detsav.f90:46-99 [...] | detsav | Outermost | 0.01 | 0.05 | 0.02 | 49 | 0.00 | 0 | 10.69 | 1 | 1 | 14.46 | 2.5 | NA | NA | NA | NA | NA | NA |
1966 | exec - deriv_nonloc.f90:430-432 | deriv_nonlocj_quad4 | Innermost | 0.01 | 0.02 | 0.01 | 40 | 1.00 | 0 | 12.5 | 1.33 | 2 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |
1935 | exec - gammai.f90:94-106 | gammai | Single | 0.01 | 0.03 | 0.01 | 48 | 86.00 | 0 | 12.05 | 1 | 5.67 | 9.07 | 3 | 0 | 0 | 0 | 0 | 0 | NA |
4176 | exec - jastrow4e.f90:329-332 | jastrow4e | Innermost | 0.01 | 0.03 | 0.01 | 48 | 64.00 | 13.33 | 12.5 | 1.24 | 1.64 | 9.81 | 3 | 1 | 1 | 1 | 0 | 0 | NA |
2335 | exec - multideterminant.f90:378-436 [...] | compute_ymat | Innermost | 0.01 | 0.04 | 0.01 | 49 | 10.00 | 0 | 12.5 | 1.23 | 1.88 | 8 | 2 | 0 | 1 | 2 | 0 | 1 | NA |
2931 | exec - orbitals.f90:557-583 [...] | orbitals | Outermost | 0.01 | 0.04 | 0.01 | 49 | 11.00 | 20 | 15.06 | 4.08 | 1 | 13.98 | 4 | NA | NA | NA | NA | NA | NA |
1933 | exec - jassav.f90:24-25 | jassav | Innermost | 0.01 | 0.02 | 0.01 | 38 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 0 | 0 | 4 | 0 | NA |
3923 | exec - multiply_slmi_mderiv.f90:24-25 | multiply_slmi_mderiv_simple | Innermost | 0.01 | 0.04 | 0.02 | 51 | 33.50 | 100 | 50 | 1 | 1.6 | 2 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
2249 | exec - multideterminante.f90:71-76 | multideterminante | Innermost | 0.01 | 0.02 | 0.01 | 43 | 2.00 | 0 | 12.5 | 1 | 2 | 2 | 2 | 1 | 2 | 0 | 3 | 0 | NA |
1969 | exec - deriv_nonloc.f90:421-425 | deriv_nonlocj_quad4 | Innermost | 0.01 | 0.02 | 0.01 | 40 | 0.00 | 14.29 | 13.39 | 1.81 | 3.15 | 12.5 | 2 | 3 | 0 | 0 | 4 | 1 | NA |
1679 | exec - set_input_data.f90:371-372 | multideterminants_define | Innermost | 0.01 | 0.02 | 0.01 | 50 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 0 | 1 | 1 | 0 | NA |
4223 | exec - detsav.f90:85-88 | detsav | Innermost | 0.01 | 0.02 | 0.01 | 38 | 0.00 | 8.33 | 12.5 | 3 | 1 | 8 | 2 | 1 | 1 | 0 | 9 | 3 | NA |
2241 | exec - multideterminante.f90:145-160 | multideterminante | InBetween | 0.01 | 0.04 | 0.02 | 48 | 3.00 | 0 | 11.79 | 1 | 1 | 13.78 | 2 | NA | NA | NA | NA | NA | NA |
2262 | exec - multideterminante.f90:235-262 [...] | multideterminante_grad | Outermost | 0.01 | 0.04 | 0.01 | 49 | 64.00 | 25 | 14.45 | 3 | 1.43 | 11.51 | 4 | NA | NA | NA | NA | NA | NA |
4291 | exec - optjas.f90:87-89 | optjas_deloc | Innermost | 0.01 | 0.02 | 0.01 | 51 | 187.00 | 0 | 12.5 | 1 | 2 | 8 | 2 | 0 | 2 | 0 | 2 | 0 | NA |
2282 | exec - multideterminant.f90:73-276 [...] | multideterminant_hpsi | InBetween | 0.01 | 0.03 | 0.01 | 47 | 4.00 | 1.34 | 12.25 | 10.64 | 1 | 13.34 | 3 | NA | NA | NA | NA | NA | NA |
1963 | exec - deriv_nonloc.f90:267-449 [...] | deriv_nonlocj_quad4 | Outermost | 0.01 | 0.02 | 0.01 | 45 | 11.00 | 11.82 | 13.75 | 3.63 | 1.31 | 10.93 | 2 | NA | NA | NA | NA | NA | NA |
2546 | exec - jastrowe.f90:41-51 | jastrowe | Outermost | 0.01 | 0.03 | 0.01 | 46 | 4.00 | 0 | 11.97 | 1 | 1 | 15.05 | 3 | 5 | 0 | 1 | 12 | 0 | NA |
2001 | exec - nonloc.f90:268-274 | nonloc | InBetween | 0.01 | 0.02 | 0.01 | 50 | 332.00 | 0 | 10.81 | 2.84 | 2.67 | 12.44 | 2 | NA | NA | NA | NA | NA | NA |
4153 | exec - hpsi.f90:196-199 | hpsi | InBetween | 0.01 | 0.03 | 0.01 | 51 | 259.00 | 17.78 | 14.38 | 3.62 | 1.81 | 10.77 | 1.5 | NA | NA | NA | NA | NA | NA |
3180 | exec - basis_fns.f90:71-71 | basis_fns | Innermost | 0.01 | 0.03 | 0.01 | 46 | 0.00 | 100 | 50 | 1 | 1 | 2 | 3 | 0 | 1 | 0 | 0 | 0 | NA |
4265 | exec - optjas.f90:68-130 | optjas_deloc | InBetween | 0.01 | 0.04 | 0.01 | 51 | 17.00 | 2.46 | 12.96 | 10.16 | 1 | 10.24 | 4 | NA | NA | NA | NA | NA | NA |
3326 | exec - deriv_nonlpsi.f90:236-238 | deriv_psibnl | Single | 0.01 | 0.02 | 0.01 | 42 | 0.00 | 0 | 12.5 | 1 | 2.58 | 8 | 2 | 0 | 2 | 0 | 0 | 0 | NA |
2261 | exec - multideterminante.f90:235-249 | multideterminante_grad | Outermost | 0.01 | 0.02 | 0.01 | 47 | 24.00 | 0 | 11.36 | 1 | 1 | 11.69 | 2 | NA | NA | NA | NA | NA | NA |
3901 | exec - distances.f90:69-79 | distances | Innermost | 0.01 | 0.03 | 0.01 | 45 | 52.00 | 33.77 | 19.04 | 1 | 1 | 2.67 | 3 | 1 | 0 | 0 | 25 | 0 | NA |
2024 | exec - nonloc.f90:146-165 | nonloc | Innermost | 0.01 | 0.03 | 0.01 | 43 | 16.00 | 3.7 | 12.04 | 2.36 | 2.14 | 11.83 | 3 | 4 | 0 | 1 | 10 | 0 | NA |
1680 | exec - set_input_data.f90:365-366 | multideterminants_define | Innermost | 0.01 | 0.03 | 0.01 | 52 | 0.00 | 0 | 6.25 | 1 | 1 | 16 | 3 | 0 | 0 | 2 | 0 | 0 | NA |
4246 | exec - optjas.f90:46-174 [...] | optjas_deloc | Outermost | 0.01 | 0.02 | 0.01 | 44 | 14.00 | 2.25 | 12.29 | 6.33 | 1 | 11.39 | 2 | NA | NA | NA | NA | NA | NA |
5390 | exec - optwf_sr_more.f90:165-166 | atimes_n | Single | 0.01 | 0.02 | 0.01 | 49 | 0.00 | 100 | 50 | 1 | 1 | 2 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
2143 | exec - deriv_jastrow4.f90:549-606 | deriv_jastrow4 | Innermost | 0.01 | 0.04 | 0.02 | 51 | 24.00 | 4.97 | 12.76 | 1.04 | 1.98 | 2.22 | 2 | 2.75 | 1 | 0 | 3 | 1.5 | NA |
7335 | exec - | for_write_seq_fmt_xmit | InBetween | 0.01 | 0.02 | 0.01 | 43 | 0.00 | 0 | 8.74 | 1 | 1 | 2.06 | 2 | NA | NA | NA | NA | NA | NA |
2283 | exec - multideterminant.f90:58-305 [...] | multideterminant_hpsi | Outermost | 0.01 | 0.03 | 0.01 | 39 | 0.00 | 4.9 | 12.25 | 15.86 | 2.13 | 14.12 | 3 | NA | NA | NA | NA | NA | NA |
4192 | exec - jastrow4e.f90:130-133 | jastrow4e | Innermost | 0.01 | 0.04 | 0.01 | 49 | 47.00 | 10 | 11.88 | 1 | 2.54 | 10.95 | 4 | 0 | 2 | 0 | 0 | 0 | NA |
1926 | exec - jassav.f90:52-53 | jassav | Innermost | 0.01 | 0.04 | 0.01 | 48 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 4 | 0 | 0 | 0 | 2 | 0 | NA |
4660 | exec - get_norbterm.f90:109-125 [...] | get_norbterm | InBetween | 0.01 | 0.04 | 0.01 | 48 | 0.00 | 7.14 | 13.84 | 2.8 | 1 | 12.44 | 4 | NA | NA | NA | NA | NA | NA |
3179 | exec - basis_fns.f90:71-71 | basis_fns | Innermost | 0.01 | 0.02 | 0.01 | 40 | 0.00 | 0 | 12.5 | 1 | 1 | 8 | 2 | 0 | 1 | 0 | 0 | 0 | NA |
5386 | exec - optwf_sr_more.f90:179-181 | atimes_n | Innermost | 0.01 | 0.03 | 0.01 | 46 | 3.00 | 25 | 15.63 | 3 | 5.19 | 7.82 | 3 | 3 | 0 | 0 | 4 | 0 | NA |
2363 | exec - multideterminant.f90:625-628 | compute_zmat | Innermost | 0.01 | 0.04 | 0.01 | 50 | 51.00 | 0 | 12.5 | 1 | 2 | 8 | 4 | 0 | 1 | 0 | 3 | 0 | NA |
3238 | exec - determinante.f90:51-52 | determinante | Innermost | 0.01 | 0.03 | 0.01 | 43 | 41.00 | 33.33 | 16.67 | 1 | 1.43 | 6.67 | 3 | 0 | 2 | 0 | 0 | 2 | NA |
3313 | exec - deriv_nonlpsi.f90:157-171 | deriv_psianl | Single | 0.01 | 0.03 | 0.01 | 51 | 84.00 | 7.04 | 11.23 | 1.36 | 1.73 | 4.68 | 3 | 1.33 | 2.33 | 0 | 0 | 0.33 | NA |
3895 | exec - distances.f90:113-125 | distances | Single | 0.01 | 0.02 | 0.01 | 47 | 42.00 | 0 | 12.5 | 1 | 1.5 | 2 | 2 | 0 | 2 | 1 | 0 | 0 | NA |
3898 | exec - distances.f90:68-249 [...] | distances | Outermost | 0.01 | 0.02 | 0.01 | 42 | 18.00 | 1.37 | 11.04 | 8.87 | 1 | 13.47 | 2 | NA | NA | NA | NA | NA | NA |
2255 | exec - multideterminante.f90:60-61 | multideterminante | Innermost | 0.01 | 0.02 | 0.01 | 49 | 288.00 | 0 | 12.5 | 1 | 3.46 | 8 | 2 | 0 | 1 | 0 | 1 | 0 | NA |