| 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 | 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 |
|---|
| 401 | libqmckl.so.0 - qmckl_mo.c:1158-1163 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 68.28 | 56.26 | 56.26 | 1 | 100 | 100 | 1 | 1.29 | 1.29 | 1 | 1 | 5 | 4 | 0 | 0 | 1.55 |
| 367 | libqmckl.so.0 - qmckl_mo.c:839-840 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 16.08 | 13.25 | 13.25 | 1 | 100 | 100 | 1 | 1.25 | 1.25 | 1 | 0 | 5 | 0 | 0 | 0 | 2.36 |
| 406 | libqmckl.so.0 - qmckl_mo.c:1095-1100 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 1.89 | 1.55 | 1.55 | 1 | 100 | 100 | 1 | 2 | 2 | 1 | 0 | 1 | 8 | 0 | 0 | 7.45 |
| 403 | libqmckl.so.0 - qmckl_mo.c:1110-1118 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 1.66 | 1.37 | 1.37 | 1 | 0 | 25 | 2.44 | 1 | 4 | 1 | 1 | 7.67 | 0 | 0 | 0 | 2.06 |
| 37 | libqmckl.so.0 - qmckl_ao.c:3344-3467 [...] | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 1.33 | 1.1 | 1.1 | 1 | 25.38 | 37.21 | 1.83 | 1.1 | 1.39 | 1 | NA | NA | NA | NA | NA | NA |
| 397 | libqmckl.so.0 - qmckl_mo.c:1178-1183 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 1.27 | 1.05 | 1.05 | 1 | 100 | 100 | 1 | 1.36 | 1.36 | 1 | 0 | 6 | 0 | 0 | 0 | 2.39 |
| 36 | libqmckl.so.0 - qmckl_ao.c:2390-3467 [...] | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 1.22 | 1.01 | 1.01 | 1 | 25.94 | 39.27 | 1.19 | 1.99 | 2.49 | 1 | NA | NA | NA | NA | NA | NA |
| 369 | libqmckl.so.0 - qmckl_mo.c:815-819 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.89 | 0.74 | 0.74 | 1 | 0 | 25 | 1.53 | 1 | 4 | 1 | NA | NA | NA | NA | NA | 1.32 |
| 399 | libqmckl.so.0 - qmckl_mo.c:1124-1163 | qmckl_compute_mo_basis_mo_vgl_hpc | InBetween | 0.75 | 0.62 | 0.62 | 1 | 21.33 | 40.92 | 1.13 | 1 | 1.86 | 1 | NA | NA | NA | NA | NA | NA |
| 107 | libqmckl.so.0 - qmckl_ao.c:2390-2907 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.73 | 0.6 | 0.6 | 1 | 25.8 | 38.84 | 1.2 | 1.96 | 2.32 | 1 | NA | NA | NA | NA | NA | NA |
| 402 | libqmckl.so.0 - qmckl_mo.c:1158-1163 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.5 | 0.41 | 0.41 | 1 | 0 | 25 | 1 | 1.29 | 5.17 | 1 | 1 | 5 | 4 | 0 | 0 | NA |
| 400 | libqmckl.so.0 - qmckl_mo.c:1158-1163 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.35 | 0.28 | 0.28 | 1 | 0 | 25 | 1 | 1.29 | 5.17 | 1 | 1 | 5 | 4 | 0 | 0 | NA |
| 368 | libqmckl.so.0 - qmckl_mo.c:839-840 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.35 | 0.28 | 0.28 | 1 | 0 | 25 | 1 | 1.25 | 5 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
| 51 | libqmckl.so.0 - qmckl_ao.c:3302-3312 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.29 | 0.23 | 0.23 | 1 | 11.76 | 27.94 | 1 | 1.58 | 4.62 | 1 | 1 | 2 | 1 | 0 | 0 | NA |
| 50 | libqmckl.so.0 - qmckl_ao.c:3328-3335 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.27 | 0.22 | 0.22 | 1 | 75 | 81.25 | 1 | 1.06 | 1.17 | 1 | 1 | 2 | 0 | 0 | 1 | NA |
| 108 | libqmckl.so.0 - qmckl_ao.c:2852-2907 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.24 | 0.2 | 0.2 | 1 | 17.39 | 30.43 | 2.6 | 1.02 | 1.34 | 1 | NA | NA | NA | NA | NA | NA |
| 363 | libqmckl.so.0 - qmckl_mo.c:851-852 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.23 | 0.19 | 0.19 | 1 | 100 | 100 | 1 | 1 | 1 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
| 118 | libqmckl.so.0 - qmckl_ao.c:2842-2845 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.21 | 0.17 | 0.17 | 1 | 0 | 22.73 | 1.1 | 1.7 | 5.82 | 1 | 2 | 0 | 2 | 0 | 2 | NA |
| 49 | libqmckl.so.0 - qmckl_ao.c:3319-3335 | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 0.21 | 0.17 | 0.17 | 1 | 25.45 | 41.74 | 1.71 | 1 | 1.39 | 1 | 1 | 0.33 | 0.67 | 3 | 0 | NA |
| 53 | libqmckl.so.0 - qmckl_ao.c:3292-3296 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.21 | 0.17 | 0.18 | 1 | 0 | 25 | 1 | 1.33 | 4 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
| 45 | libqmckl.so.0 - qmckl_ao.c:3360-3365 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.19 | 0.16 | 0.16 | 1 | 0 | 25 | 1 | 2 | 8 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
| 115 | libqmckl.so.0 - qmckl_ao.c:2863-2864 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.19 | 0.16 | 0.16 | 1 | 0 | 25 | 1 | 1 | 4 | 1 | 0 | 1 | 0 | 0 | 0 | NA |
| 117 | libqmckl.so.0 - qmckl_ao.c:2838-2863 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.19 | 0.16 | 0.16 | 1 | 0 | 21.32 | 2.83 | 1 | 4.69 | 1 | NA | NA | NA | NA | NA | NA |
| 366 | libqmckl.so.0 - qmckl_mo.c:839-840 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.12 | 0.09 | 0.09 | 1 | 0 | 25 | 1 | 1.25 | 5 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
| 121 | libqmckl.so.0 - qmckl_ao.c:2824-2828 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.08 | 0.07 | 0.07 | 1 | 0 | 25 | 1 | 1.33 | 4 | 1 | 0 | 2 | 0 | 0 | 0 | NA |
| 365 | libqmckl.so.0 - qmckl_mo.c:825-840 | qmckl_compute_mo_basis_mo_value_hpc | InBetween | 0.08 | 0.07 | 0.07 | 1 | 0 | 24.39 | 1.91 | 1 | 4.99 | 1 | NA | NA | NA | NA | NA | NA |
| 46 | libqmckl.so.0 - qmckl_ao.c:3360-3365 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.07 | 0.05 | 0.05 | 1 | 100 | 100 | 1 | 2 | 2 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
| 52 | libqmckl.so.0 - qmckl_ao.c:3302-3312 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.06 | 0.05 | 0.05 | 1 | 45.95 | 52.7 | 1 | 2 | 4.03 | 1 | 1 | 2 | 1 | 0 | 0 | NA |
| 120 | libqmckl.so.0 - qmckl_ao.c:2834-2835 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.04 | 0.03 | 0.03 | 1 | 100 | 100 | 1.67 | 1 | 1 | 1 | 1 | 2 | 0 | 0 | 0 | NA |
| 119 | libqmckl.so.0 - qmckl_ao.c:2834-2835 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.04 | 0.03 | 0.03 | 1 | 25 | 31.25 | 1.67 | 1 | 3.33 | 1 | 1 | 2 | 0 | 0 | 0 | NA |
| 54 | libqmckl.so.0 - qmckl_ao.c:2626-2650 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.03 | 0.02 | 0.03 | 1 | 9.09 | 26.14 | 1 | 2.05 | 4 | 1 | 1 | 8 | 0 | 0 | 1 | NA |
| 106 | libqmckl.so.0 - qmckl_ao.c:2390-2907 [...] | qmckl_compute_ao_value_hpc_gaussian | Outermost | 0.02 | 0.01 | 0.01 | 1 | 0 | 25 | 2.77 | 1 | 4 | 1 | NA | NA | NA | NA | NA | NA |
| 398 | libqmckl.so.0 - qmckl_mo.c:1178-1183 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.02 | 0.01 | 0.01 | 1 | 0 | 25 | 1 | 1.36 | 5.45 | 1 | 0 | 6 | 0 | 0 | 0 | NA |
| 35 | libqmckl.so.0 - qmckl_ao.c:2390-3467 [...] | qmckl_compute_ao_vgl_hpc_gaussian | Outermost | 0.02 | 0.01 | 0.01 | 1 | 0 | 23.96 | 2.46 | 1 | 4.92 | 1 | NA | NA | NA | NA | NA | NA |
| 394 | libqmckl.so.0 - qmckl_mo.c:1082-1186 [...] | qmckl_compute_mo_basis_mo_vgl_hpc | Outermost | 0.02 | 0.02 | 0.02 | 1 | 10.94 | 29.3 | 6.54 | 1 | 3.97 | 1 | NA | NA | NA | NA | NA | NA |
| 122 | libqmckl.so.0 - qmckl_ao.c:2626-2650 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.01 | 0 | 0 | 1 | 9.09 | 26.14 | 1 | 2.05 | 4 | 0 | 1 | 8 | 0 | 0 | 1 | NA |
| 58 | libqmckl.so.0 - qmckl_ao.c:2589-2590 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.01 | 0 | 0 | 1 | 100 | 85 | 1 | 1 | 1 | 0 | 0 | 1 | 0 | 0 | 0 | NA |
| 123 | libqmckl.so.0 - qmckl_ao.c:2623-2655 | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.01 | 0.01 | 0.01 | 1 | 15.38 | 25.96 | 2 | 1.48 | 5.45 | 1 | 1 | 1 | 1 | 8 | 0 | NA |
| 395 | libqmckl.so.0 - qmckl_mo.c:1167-1183 | qmckl_compute_mo_basis_mo_vgl_hpc | InBetween | 0.01 | 0 | 0 | 1 | 0 | 24.48 | 3.03 | 1 | 5.13 | 0 | NA | NA | NA | NA | NA | NA |
| 396 | libqmckl.so.0 - qmckl_mo.c:1178-1183 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.01 | 0 | 0 | 1 | 0 | 25 | 1 | 1.36 | 5.45 | 0 | 0 | 6 | 0 | 0 | 0 | NA |
| 55 | libqmckl.so.0 - qmckl_ao.c:2623-2655 | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 0.01 | 0.01 | 0.01 | 1 | 15.38 | 25.96 | 2 | 1.48 | 5.45 | 1 | 1 | 1 | 1 | 8 | 0 | NA |
| 359 | libqmckl.so.0 - qmckl_mo.c:804-855 [...] | qmckl_compute_mo_basis_mo_value_hpc | Outermost | 0.01 | 0.01 | 0.01 | 1 | 8.93 | 27.9 | 3.72 | 1 | 5.9 | 1 | NA | NA | NA | NA | NA | NA |
| 166 | libqmckl.so.0 - qmckl_ao.c:2718-2722 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.01 | 0 | 0 | 1 | 0 | 25 | 1 | 1 | 4 | 0 | 0 | 2 | 0 | 2 | 0 | NA |
| 60 | libqmckl.so.0 - qmckl_ao.c:2582-2585 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.01 | 0 | 0 | 1 | 0 | 25 | 1 | 1.88 | 4 | 0 | 0 | 3 | 0 | 0 | 0 | NA |
| 364 | libqmckl.so.0 - qmckl_mo.c:851-852 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.01 | 0 | 0 | 1 | 0 | 25 | 1 | 1 | 4 | 0 | 0 | 2 | 0 | 0 | 0 | NA |
| 405 | libqmckl.so.0 - qmckl_mo.c:1095-1100 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.01 | 0.01 | 0.01 | 1 | 100 | 100 | 1 | 2 | 2 | 1 | 0 | 5 | 0 | 0 | 0 | NA |
