| 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 |
|---|
| 434 | libqmckl.so.0.0.0 - qmckl_mo.c:1329-1334 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 40.43 | 1.54 | 1.59 | 52 | 100 | 50 | 1 | 1.61 | 2 | 1.07 | 0 | 9 | 0 | 0 | 0 |
| 380 | libqmckl.so.0.0.0 - qmckl_mo.c:984-987 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 23.68 | 0.89 | 0.93 | 52 | 100 | 50 | 1 | 1.28 | 2 | 1.05 | 0 | 9 | 0 | 0 | 0 |
| 36 | libqmckl.so.0.0.0 - qmckl_ao.c:2433-3595 [...] | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 1.89 | 0.11 | 0.07 | 52 | 29.02 | 21.22 | 1.5 | 1.02 | 5.1 | 1.57 | NA | NA | NA | NA | NA |
| 436 | libqmckl.so.0.0.0 - qmckl_mo.c:1281-1288 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 1.39 | 0.1 | 0.05 | 52 | 75 | 40.63 | 1.05 | 1 | 2.18 | 2 | 0.5 | 2.5 | 0.5 | 2 | 0.5 |
| 34 | bench_mos - | __intel_avx_rep_memset | Single | 1.17 | 0.07 | 0.05 | 52 | 100 | 50 | 1 | 1 | 2 | 1.75 | 0 | 1 | 0 | 0 | 0 |
| 431 | libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 1.05 | 0.07 | 0.04 | 52 | 100 | 50 | 1 | 1 | 2 | 1.75 | 0 | 6 | 0 | 0 | 0 |
| 433 | libqmckl.so.0.0.0 - qmckl_mo.c:1295-1334 | qmckl_compute_mo_basis_mo_vgl_hpc | InBetween | 0.92 | 0.06 | 0.04 | 52 | 33.62 | 25.11 | 1.17 | 1.17 | 4.6 | 2 | NA | NA | NA | NA | NA |
| 106 | libqmckl.so.0.0.0 - qmckl_ao.c:2433-2986 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.91 | 0.06 | 0.04 | 52 | 28.75 | 20.91 | 1.41 | 1.02 | 5.17 | 2 | NA | NA | NA | NA | NA |
| 435 | libqmckl.so.0.0.0 - qmckl_mo.c:1329-1334 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.69 | 0.05 | 0.03 | 52 | 100 | 50 | 1 | 1.53 | 2 | 2.5 | 0 | 9 | 0 | 0 | 0 |
| 37 | libqmckl.so.0.0.0 - qmckl_ao.c:3480-3595 [...] | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 0.68 | 0.05 | 0.03 | 52 | 37.96 | 25.69 | 1.92 | 1.84 | 6.03 | 2.5 | NA | NA | NA | NA | NA |
| 381 | libqmckl.so.0.0.0 - qmckl_mo.c:984-987 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.6 | 0.05 | 0.02 | 52 | 100 | 50 | 1 | 1.33 | 2 | 2.5 | 0 | 9 | 0 | 0 | 0 |
| 384 | libqmckl.so.0.0.0 - qmckl_mo.c:952-955 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.53 | 0.04 | 0.02 | 52 | 62.5 | 33.59 | 1 | 1 | 2 | 2 | NA | NA | NA | NA | NA |
| 377 | libqmckl.so.0.0.0 - qmckl_mo.c:998-999 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.41 | 0.03 | 0.02 | 50 | 100 | 50 | 1 | 1 | 2 | 1.5 | 0 | 2 | 0 | 0 | 0 |
| 41 | libqmckl.so.0.0.0 - qmckl_ao.c:3463-3470 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.32 | 0.03 | 0.01 | 45 | 75 | 40.63 | 1.15 | 1.33 | 3.33 | 3 | 1 | 2 | 0 | 0 | 1 |
| 40 | libqmckl.so.0.0.0 - qmckl_ao.c:3454-3470 | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 0.28 | 0.03 | 0.01 | 46 | 28.15 | 21.71 | 1.58 | 1 | 3.93 | 3 | 1 | 1.67 | 0 | 1 | 0 |
| 32 | bench_mos - | __intel_avx_rep_memcpy | Single | 0.24 | 0.45 | 0.01 | 1 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 0 | 0 | 2 | 0 |
| 112 | libqmckl.so.0.0.0 - qmckl_ao.c:2925-2985 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.21 | 0.02 | 0.01 | 41 | 0 | 9.82 | 3.75 | 1 | 10.91 | 2 | NA | NA | NA | NA | NA |
| 107 | libqmckl.so.0.0.0 - qmckl_ao.c:2940-2986 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.2 | 0.03 | 0.01 | 39 | 10 | 14.13 | 3.3 | 1.17 | 8.99 | 3 | NA | NA | NA | NA | NA |
| 35 | libqmckl.so.0.0.0 - qmckl_ao.c:2433-3595 [...] | qmckl_compute_ao_vgl_hpc_gaussian | Outermost | 0.19 | 0.03 | 0.01 | 33 | 9.09 | 13.64 | 3.5 | 1 | 7.8 | 3 | NA | NA | NA | NA | NA |
| 428 | libqmckl.so.0.0.0 - qmckl_mo.c:1265-1354 [...] | qmckl_compute_mo_basis_mo_vgl_hpc | Outermost | 0.17 | 0.02 | 0.01 | 34 | 26.53 | 22.19 | 3.68 | 1 | 6.32 | 2 | NA | NA | NA | NA | NA |
| 379 | libqmckl.so.0.0.0 - qmckl_mo.c:962-987 | qmckl_compute_mo_basis_mo_value_hpc | InBetween | 0.17 | 0.02 | 0.01 | 41 | 32.86 | 24.82 | 1.33 | 1.33 | 5.42 | 2 | NA | NA | NA | NA | NA |
| 49 | libqmckl.so.0.0.0 - qmckl_ao.c:3404-3408 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.13 | 0.02 | 0.01 | 31 | 0 | 12.5 | 1.13 | 2.25 | 8 | 2 | 0 | 2 | 0 | 0 | 0 |
| 113 | libqmckl.so.0.0.0 - qmckl_ao.c:2929-2932 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.1 | 0.02 | 0 | 26 | 0 | 11.25 | 1.44 | 2.14 | 11.87 | 2 | 2 | 0 | 1 | 0 | 3 |
| 42 | libqmckl.so.0.0.0 - qmckl_ao.c:3441-3447 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.09 | 0.01 | 0 | 26 | 7.14 | 13.39 | 1.06 | 1.13 | 7.58 | 1 | 1 | 2 | 0 | 1 | 0 |
| 120 | libqmckl.so.0.0.0 - qmckl_ao.c:2886-2890 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.09 | 0.02 | 0 | 19 | 0 | 12.5 | 1.13 | 2.25 | 8 | 2 | 0 | 2 | 0 | 0 | 0 |
| 104 | libqmckl.so.0.0.0 - qmckl_ao.c:2433-2986 [...] | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.08 | 0.01 | 0 | 23 | 16.67 | 14.58 | 2.93 | 1 | 7.79 | 1 | NA | NA | NA | NA | NA |
| 63 | libqmckl.so.0.0.0 - qmckl_ao.c:3300-3304 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.06 | 0.01 | 0 | 22 | 91.37 | 46.76 | 1.36 | 1 | 2.36 | 1 | 2 | 0 | 0 | 3.25 | 0 |
| 437 | libqmckl.so.0.0.0 - qmckl_mo.c:1281-1288 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.05 | 0.01 | 0 | 14 | 70 | 38.75 | 1.11 | 1 | 2.22 | 1 | 1 | 2.5 | 0.5 | 1 | 2 |
| 134 | libqmckl.so.0.0.0 - qmckl_ao.c:2803-2807 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.04 | 0.01 | 0 | 12 | 91.37 | 46.76 | 1.36 | 1 | 2.36 | 1 | 2 | 0 | 0 | 3.25 | 0 |
| 121 | libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.04 | 0.01 | 0 | 10 | 12.9 | 13.51 | 1.18 | 1.25 | 9.41 | 1 | 1 | 8 | 0 | 0 | 1 |
| 33 | bench_mos - | __intel_avx_rep_memcpy | Single | 0.04 | 0.06 | 0 | 1 | 100 | 50 | 1 | 1 | 2 | 1 | 0 | 2 | 0 | 0 | 0 |
| 50 | libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.03 | 0.01 | 0 | 10 | 12.9 | 13.51 | 1.18 | 1.25 | 9.41 | 1 | 1 | 8 | 0 | 0 | 1 |
| 119 | libqmckl.so.0.0.0 - qmckl_ao.c:2897-2898 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.03 | 0.01 | 0 | 11 | 100 | 50 | 1.6 | 1 | 2 | 1 | 1 | 2 | 0 | 0 | 0 |
| 373 | libqmckl.so.0.0.0 - qmckl_mo.c:942-1002 [...] | qmckl_compute_mo_basis_mo_value_hpc | Outermost | 0.03 | 0.01 | 0 | 10 | 14.81 | 16.44 | 2.88 | 1 | 9.66 | 1 | NA | NA | NA | NA | NA |
| 385 | libqmckl.so.0.0.0 - qmckl_mo.c:952-956 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.03 | 0.01 | 0 | 11 | 0 | 12.5 | 1.14 | 1 | 8 | 1 | 0 | 2.33 | 0 | 0 | 0 |
| 429 | libqmckl.so.0.0.0 - qmckl_mo.c:1338-1354 | qmckl_compute_mo_basis_mo_vgl_hpc | InBetween | 0.02 | 0 | 0 | 7 | 2.94 | 13.42 | 2.27 | 1 | 12.12 | 0 | NA | NA | NA | NA | NA |
| 133 | libqmckl.so.0.0.0 - qmckl_ao.c:2803-2807 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.02 | 0 | 0 | 6 | 79.17 | 34.9 | 1.29 | 1 | 3.45 | 0 | 1 | 0 | 0 | 2 | 0 |
| 378 | libqmckl.so.0.0.0 - qmckl_mo.c:998-999 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.02 | 0.01 | 0 | 8 | 0 | 12.5 | 1 | 1.5 | 8 | 1 | 0 | 2 | 0 | 0 | 0 |
| 64 | libqmckl.so.0.0.0 - qmckl_ao.c:3300-3305 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.02 | 0.01 | 0 | 6 | 0 | 10.83 | 1.32 | 1 | 10.92 | 1 | 0 | 2.33 | 0 | 0 | 0 |
| 135 | libqmckl.so.0.0.0 - qmckl_ao.c:2803-2808 | qmckl_compute_ao_value_hpc_gaussian | Innermost | 0.02 | 0 | 0 | 6 | 0 | 10.83 | 1.32 | 1 | 10.92 | 0 | 0 | 2.33 | 0 | 0 | 0 |
| 51 | libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698 | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 0.02 | 0.01 | 0 | 5 | 22.22 | 13.54 | 2.88 | 2.88 | 13.43 | 1 | 2 | 1 | 2 | 6 | 0 |
| 60 | libqmckl.so.0.0.0 - qmckl_ao.c:3298-3308 | qmckl_compute_ao_vgl_hpc_gaussian | InBetween | 0.01 | 0 | 0 | 4 | 5.26 | 11.84 | 5 | 1 | 12.31 | 0 | NA | NA | NA | NA | NA |
| 430 | libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.01 | 0 | 0 | 3 | 0 | 12.5 | 1 | 1 | 8 | 0 | 0 | 6 | 0 | 0 | 0 |
| 432 | libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354 | qmckl_compute_mo_basis_mo_vgl_hpc | Innermost | 0.01 | 0 | 0 | 5 | 100 | 50 | 1 | 1 | 2 | 0 | 0 | 6 | 0 | 0 | 0 |
| 131 | libqmckl.so.0.0.0 - qmckl_ao.c:2801-2811 | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.01 | 0 | 0 | 4 | 5.26 | 11.84 | 5 | 1 | 12.31 | 0 | NA | NA | NA | NA | NA |
| 374 | libqmckl.so.0.0.0 - qmckl_mo.c:946-999 [...] | qmckl_compute_mo_basis_mo_value_hpc | InBetween | 0.01 | 0 | 0 | 2 | 0 | 11.51 | 2.25 | 1 | 12.71 | 0 | NA | NA | NA | NA | NA |
| 375 | libqmckl.so.0.0.0 - qmckl_mo.c:998-999 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.01 | 0 | 0 | 2 | 0 | 12.5 | 1 | 1.5 | 8 | 0 | 0 | 2 | 0 | 0 | 0 |
| 376 | libqmckl.so.0.0.0 - qmckl_mo.c:998-999 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.01 | 0 | 0 | 2 | 100 | 50 | 1 | 1.41 | 2 | 0 | 0 | 2 | 0 | 0 | 0 |
| 383 | libqmckl.so.0.0.0 - qmckl_mo.c:952-955 | qmckl_compute_mo_basis_mo_value_hpc | Innermost | 0.01 | 0 | 0 | 2 | 85.71 | 43.75 | 1.08 | 1 | 2 | 0 | 0 | 0.5 | 0.5 | 1 | 0 |
| 122 | libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698 | qmckl_compute_ao_value_hpc_gaussian | InBetween | 0.01 | 0 | 0 | 4 | 22.22 | 13.54 | 2.88 | 2.88 | 13.43 | 0 | 2 | 5 | 3 | 2 | 0 |
| 62 | libqmckl.so.0.0.0 - qmckl_ao.c:3300-3304 | qmckl_compute_ao_vgl_hpc_gaussian | Innermost | 0.01 | 0 | 0 | 4 | 79.17 | 34.9 | 1.29 | 1 | 3.45 | 0 | 1 | 0 | 0 | 2 | 0 |
