| Name | Module | Coverage run_0 (%) | Max Time Over Threads run_0 (s) | Time w.r.t. Wall Time run_0 (s) | Nb Threads run_0 | Deviation (coverage) run_0 | Deviation (walltime) run_0 | Categories run_0 | Compilation Options |
|---|---|---|---|---|---|---|---|---|---|
| ►qmckl_compute_mo_basis_mo_vgl_hpc._omp_fn.0 | libqmckl.so.0.0.0 | 53.28 | 0.81 | 1.12 | 52 | 2.59 | 0.02 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ►Loop 209 - qmckl_mo.c:1269-1354 - libqmckl.so.0.0.0 [...] | 0.07 | 0.01 | 0 | 11 | 0.00 | 0.00 | |||
| ○Loop 210 - qmckl_mo.c:1281-1289 - libqmckl.so.0.0.0 | 1.54 | 0.05 | 0.03 | 51 | 0.67 | 0.01 | |||
| ►Loop 213 - qmckl_mo.c:1295-1334 - libqmckl.so.0.0.0 | 0.73 | 0.03 | 0.02 | 47 | 0.47 | 0.01 | |||
| ○Loop 214 - qmckl_mo.c:1330-1334 - libqmckl.so.0.0.0 | 49.96 | 0.77 | 1.05 | 52 | 2.67 | 0.02 | |||
| ►Loop 211 - qmckl_mo.c:1338-1354 - libqmckl.so.0.0.0 | 0.02 | 0.01 | 0 | 3 | 0.00 | 0.00 | |||
| ○Loop 212 - qmckl_mo.c:1350-1354 - libqmckl.so.0.0.0 | 0.95 | 0.05 | 0.02 | 47 | 0.53 | 0.01 | |||
| ►qmckl_compute_mo_basis_mo_value_hpc._omp_fn.0 | libqmckl.so.0.0.0 | 18.98 | 0.29 | 0.4 | 52 | 1.05 | 0.01 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ►Loop 200 - qmckl_mo.c:931-999 - libqmckl.so.0.0.0 [...] | 0.02 | 0 | 0 | 3 | 0.00 | 0.00 | |||
| ○Loop 201 - qmckl_mo.c:952-956 - libqmckl.so.0.0.0 | 0.69 | 0.03 | 0.01 | 45 | 0.41 | 0.01 | |||
| ►Loop 207 - qmckl_mo.c:962-987 - libqmckl.so.0.0.0 | 0.13 | 0.01 | 0 | 19 | 0.08 | 0.00 | |||
| ○Loop 208 - qmckl_mo.c:985-987 - libqmckl.so.0.0.0 | 17.7 | 0.28 | 0.37 | 52 | 1.18 | 0.01 | |||
| ○Loop 202 - qmckl_mo.c:991-998 - libqmckl.so.0.0.0 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 205 - qmckl_mo.c:999-999 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 204 - qmckl_mo.c:962-999 - libqmckl.so.0.0.0 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 203 - qmckl_mo.c:999-999 - libqmckl.so.0.0.0 | 0.44 | 0.02 | 0.01 | 37 | 0.36 | 0.01 | |||
| ○Loop 206 - qmckl_mo.c:999-999 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○unknown_function | libc.so.6 | 7.9 | 0.71 | 0.17 | 52 | 4.35 | 0.09 | System (%): 100.00 | |
| ○gomp_team_barrier_wait_end | libgomp.so.1.0.0 | 7.19 | 0.15 | 0.15 | 52 | 1.62 | 0.02 | OMP (%): 100.00 | |
| ○gomp_barrier_wait_end | libgomp.so.1.0.0 | 5.29 | 0.09 | 0.11 | 52 | 0.74 | 0.01 | OMP (%): 100.00 | |
| ►qmckl_compute_ao_vgl_hpc_gaussian._omp_fn.0 | libqmckl.so.0.0.0 | 4.88 | 0.11 | 0.1 | 52 | 1.34 | 0.02 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ►Loop 26 - qmckl_ao.c:2444-3595 - libqmckl.so.0.0.0 [...] | 0.38 | 0.01 | 0.01 | 39 | 0.20 | 0.00 | |||
| ►Loop 27 - qmckl_ao.c:2444-3595 - libqmckl.so.0.0.0 [...] | 1.45 | 0.04 | 0.03 | 52 | 0.68 | 0.01 | |||
| ►Loop 29 - qmckl_ao.c:3394-3595 - libqmckl.so.0.0.0 [...] | 1.11 | 0.05 | 0.02 | 48 | 0.58 | 0.01 | |||
| ○Loop 30 - qmckl_ao.c:3588-3595 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 39 - qmckl_ao.c:3404-3408 - libqmckl.so.0.0.0 | 0.53 | 0.03 | 0.01 | 39 | 0.41 | 0.01 | |||
| ►Loop 28 - qmckl_ao.c:3454-3470 - libqmckl.so.0.0.0 | 0.3 | 0.02 | 0.01 | 30 | 0.25 | 0.00 | |||
| ○Loop 31 - qmckl_ao.c:3463-3470 - libqmckl.so.0.0.0 | 0.72 | 0.03 | 0.02 | 45 | 0.38 | 0.01 | |||
| ○Loop 38 - qmckl_ao.c:3414-3415 - libqmckl.so.0.0.0 | 0.2 | 0.01 | 0 | 23 | 0.20 | 0.00 | |||
| ○Loop 34 - qmckl_ao.c:3441-3444 - libqmckl.so.0.0.0 | 0.1 | 0.01 | 0 | 13 | 0.13 | 0.00 | |||
| ○Loop 37 - qmckl_ao.c:3420-3425 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 35 - qmckl_ao.c:3435-3436 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 36 - qmckl_ao.c:3431-3432 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 32 - qmckl_ao.c:3431-3432 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 33 - qmckl_ao.c:3435-3436 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 40 - qmckl_ao.c:3297-3308 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 41 - qmckl_ao.c:3298-3308 - libqmckl.so.0.0.0 | 0.01 | 0 | 0 | 1 | 0.00 | 0.00 | |||
| ○Loop 42 - qmckl_ao.c:3300-3305 - libqmckl.so.0.0.0 | 0.1 | 0.01 | 0 | 15 | 0.03 | 0.00 | |||
| ►qmckl_compute_ao_value_hpc_gaussian._omp_fn.0 | libqmckl.so.0.0.0 | 1.33 | 0.03 | 0.03 | 52 | 0.37 | 0.01 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ►Loop 10 - qmckl_ao.c:2444-2986 - libqmckl.so.0.0.0 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 9 - qmckl_ao.c:2444-2986 - libqmckl.so.0.0.0 [...] | 0.06 | 0.01 | 0 | 9 | 0.04 | 0.00 | |||
| ►Loop 11 - qmckl_ao.c:2444-2986 - libqmckl.so.0.0.0 [...] | 0.54 | 0.02 | 0.01 | 45 | 0.38 | 0.01 | |||
| ►Loop 13 - qmckl_ao.c:2940-2986 - libqmckl.so.0.0.0 [...] | 0.28 | 0.02 | 0.01 | 29 | 0.23 | 0.00 | |||
| ○Loop 14 - qmckl_ao.c:2986-2986 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 22 - qmckl_ao.c:2886-2890 - libqmckl.so.0.0.0 | 0.15 | 0.01 | 0 | 20 | 0.17 | 0.00 | |||
| ►Loop 12 - qmckl_ao.c:2925-2932 - libqmckl.so.0.0.0 | 0.1 | 0.01 | 0 | 14 | 0.09 | 0.00 | |||
| ○Loop 15 - qmckl_ao.c:2929-2932 - libqmckl.so.0.0.0 | 0.09 | 0.01 | 0 | 13 | 0.10 | 0.00 | |||
| ○Loop 21 - qmckl_ao.c:2897-2898 - libqmckl.so.0.0.0 | 0.03 | 0.01 | 0 | 4 | 0.18 | 0.00 | |||
| ○Loop 19 - qmckl_ao.c:2914-2915 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 18 - qmckl_ao.c:2919-2920 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 20 - qmckl_ao.c:2903-2907 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 16 - qmckl_ao.c:2914-2915 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 17 - qmckl_ao.c:2919-2920 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 23 - qmckl_ao.c:2800-2811 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 24 - qmckl_ao.c:2801-2811 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 25 - qmckl_ao.c:2803-2808 - libqmckl.so.0.0.0 | 0.08 | 0.01 | 0 | 9 | 0.17 | 0.00 | |||
| ○_ZGVeN16v_tanhf | libmvec.so.1 | 0.53 | 0.03 | 0.01 | 40 | 0.40 | 0.01 | Math (%): 100.00 | |
| ○f64xsubf128 | libm.so.6 | 0.28 | 0.02 | 0.01 | 32 | 0.21 | 0.00 | Math (%): 100.00 | |
| ►qmckl_ao_polynomial_transp_vgl_hpc_inline.part.0 | libqmckl.so.0.0.0 | 0.1 | 0.01 | 0 | 13 | 0.13 | 0.00 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ○Loop 1 - qmckl_ao.c:2636-2639 - libqmckl.so.0.0.0 | 0.01 | 0 | 0 | 1 | 0.00 | 0.00 | |||
| ○Loop 7 - qmckl_ao.c:2632-2633 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 0 - qmckl_ao.c:2503-2507 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 6 - qmckl_ao.c:2632-2633 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 8 - qmckl_ao.c:2625-2628 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 2 - qmckl_ao.c:2645-2649 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 4 - qmckl_ao.c:2643-2700 - libqmckl.so.0.0.0 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ►Loop 3 - qmckl_ao.c:2666-2698 - libqmckl.so.0.0.0 | 0.01 | 0 | 0 | 2 | 0.00 | 0.00 | |||
| ○Loop 5 - qmckl_ao.c:2669-2693 - libqmckl.so.0.0.0 | 0.06 | 0.01 | 0 | 8 | 0.12 | 0.00 | |||
| ►qmckl_provide_mo_basis_mo_value | libqmckl.so.0.0.0 | 0.1 | 0.07 | 0 | 1 | 0.00 | 0.00 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ►Loop 271 - qmckl_mo.c:693-707 - libqmckl.so.0.0.0 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 273 - qmckl_mo.c:703-704 - libqmckl.so.0.0.0 | 0.1 | 0.07 | 0 | 1 | 0.00 | 0.00 | |||
| ○Loop 272 - qmckl_mo.c:703-704 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○unknown_kernel_region | kernel | 0.09 | 0.01 | 0 | 12 | 0.11 | 0.00 | System (%): 92.31 OMP (%): 7.69 | |
| ○exp | libm.so.6 | 0.03 | 0 | 0 | 5 | 0.00 | 0.00 | Math (%): 100.00 | |
| ►qmckl_finalize_mo_basis | libqmckl.so.0.0.0 | 0.01 | 0 | 0 | 1 | 0.00 | 0.00 | libqmckl.so (%): 100.00 | GNU GIMPLE 13.2.1 20230801 -march=skylake-avx512 -mmmx -mpopcnt -msse -msse2 -msse3 -mssse3 -msse4.1 -msse4.2 -mavx -mavx2 -mno-sse4a -mno-fma4 -mno-xop -mfma -mavx512f -mbmi -mbmi2 -maes -mpclmul -mavx512vl -mavx512bw -mavx512dq -mavx512cd -mno-avx512er -... |
| ►Loop 263 - qmckl_mo.c:168-191 - libqmckl.so.0.0.0 [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | |||
| ○Loop 265 - qmckl_mo.c:169-170 - libqmckl.so.0.0.0 | 0.01 | 0 | 0 | 1 | 0.00 | 0.00 | |||
| ○Loop 264 - qmckl_mo.c:169-170 - libqmckl.so.0.0.0 | 0 | 0 | 0 | 0 | 0.00 | 0.00 |