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 | GFLOPS run_0 | Compilation Options |
---|---|---|---|---|---|---|---|---|---|---|
►basis_fns | exec | 11.23 | 3.01 | 2.82 | 52 | 0.42 | 0.10 | Exe (%): 100.00 | 18.60 | Intel(R) Fortran 23.0-1198 |
►Loop 3286 - basis_fns.f90:62-228 - exec [...] | 0.25 | 0.1 | 0.06 | 52 | 0.05 | 0.01 | 0.00 | |||
►Loop 3292 - basis_fns.f90:71-131 - exec [...] | 0.35 | 0.12 | 0.09 | 52 | 0.06 | 0.02 | 12.67 | |||
○Loop 3293 - basis_fns.f90:109-130 - exec [...] | 8.29 | 2.27 | 2.08 | 52 | 0.42 | 0.11 | 17.06 | |||
○Loop 3294 - basis_fns.f90:102-103 - exec | 1.62 | 0.48 | 0.41 | 52 | 0.16 | 0.04 | 8.73 | |||
○Loop 3295 - basis_fns.f90:93-98 - exec | 0.68 | 0.23 | 0.17 | 52 | 0.10 | 0.03 | 72.00 | |||
○Loop 3296 - basis_fns.f90:71-71 - exec | 0.02 | 0.01 | 0 | 33 | 0.01 | 0.00 | 0.00 | |||
○Loop 3297 - basis_fns.f90:71-71 - exec | 0.02 | 0.02 | 0 | 28 | 0.02 | 0.00 | 0.00 | |||
►Loop 3287 - basis_fns.f90:71-212 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3288 - basis_fns.f90:71-207 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3291 - basis_fns.f90:158-163 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3289 - basis_fns.f90:174-206 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3290 - basis_fns.f90:167-168 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xddot | libmkl_avx512.so.2 | 8.69 | 2.23 | 2.18 | 52 | 0.11 | 0.03 | Math (%): 100.00 | 45.98 | |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 8.67 | 2.2 | 2.18 | 52 | 0.05 | 0.01 | Math (%): 100.00 | 51.47 | |
►orbitals | exec | 8.65 | 2.33 | 2.17 | 52 | 0.31 | 0.08 | Exe (%): 100.00 | 766.36 | Intel(R) Fortran 23.0-1198 |
►Loop 3081 - orbitals.f90:94-583 - exec [...] | 0.02 | 0.02 | 0.01 | 34 | 0.02 | 0.00 | 3.00 | |||
►Loop 3083 - orbitals.f90:94-579 - exec [...] | 0.91 | 0.3 | 0.23 | 52 | 0.13 | 0.03 | 581.44 | |||
○Loop 3085 - orbitals.f90:94-578 - exec [...] | 7.3 | 1.99 | 1.83 | 52 | 0.30 | 0.08 | 826.96 | |||
○Loop 3084 - orbitals.f90:94-578 - exec [...] | 0.17 | 0.08 | 0.04 | 52 | 0.06 | 0.02 | 394.00 | |||
○Loop 3086 - orbitals.f90:562-579 - exec [...] | 0.12 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 0.00 | |||
○Loop 3082 - orbitals.f90:580-580 - exec | 0.09 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 7.00 | |||
►Loop 3079 - orbitals.f90:94-583 - exec [...] | 0.01 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
►Loop 3096 - orbitals.f90:94-581 - exec [...] | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
○Loop 3098 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3097 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3095 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3092 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3089 - orbitals.f90:94-559 - exec [...] | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 3090 - orbitals.f90:559-559 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3091 - orbitals.f90:559-559 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3087 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3093 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3088 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3094 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3080 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3102 - orbitals.f90:94-553 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3100 - orbitals.f90:94-553 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3108 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3109 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3111 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3112 - orbitals.f90:94-553 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3099 - orbitals.f90:526-553 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3113 - orbitals.f90:94-552 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3114 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3126 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3119 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3127 - orbitals.f90:94-528 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3128 - orbitals.f90:528-528 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3129 - orbitals.f90:528-528 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3130 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3120 - orbitals.f90:549-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3125 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3124 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3131 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3116 - orbitals.f90:94-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3118 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3117 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3115 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3121 - orbitals.f90:94-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3122 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3123 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3110 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3134 - orbitals.f90:94-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3135 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3136 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3133 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3132 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3107 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3104 - orbitals.f90:94-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3106 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3105 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3101 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3103 - orbitals.f90:549-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3147 - orbitals.f90:94-126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3148 - orbitals.f90:110-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3154 - orbitals.f90:94-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3155 - orbitals.f90:94-122 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3145 - orbitals.f90:94-126 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3149 - orbitals.f90:94-104 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3153 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3150 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3152 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3151 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3144 - orbitals.f90:96-126 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3146 - orbitals.f90:110-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3064 - orbitals.f90:94-583 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3063 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3065 - orbitals.f90:580-580 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3069 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3062 - orbitals.f90:94-583 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3075 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3076 - orbitals.f90:94-581 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3078 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3077 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3071 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3074 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3070 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3072 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3073 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3066 - orbitals.f90:94-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3067 - orbitals.f90:94-578 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3068 - orbitals.f90:94-578 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3057 - orbitals.f90:676-687 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3060 - orbitals.f90:677-678 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3058 - orbitals.f90:681-686 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3059 - orbitals.f90:684-685 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3061 - orbitals.f90:680-681 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3140 - orbitals.f90:94-162 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3139 - orbitals.f90:146-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3141 - orbitals.f90:146-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3142 - orbitals.f90:94-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3143 - orbitals.f90:94-158 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3138 - orbitals.f90:130-162 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3137 - orbitals.f90:130-162 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○splfit | exec | 5.5 | 1.5 | 1.38 | 52 | 0.28 | 0.07 | Exe (%): 100.00 | 52.46 | Intel(R) Fortran 23.0-1198 |
►multideterminante_grad | exec | 5.32 | 1.53 | 1.34 | 52 | 0.30 | 0.07 | Exe (%): 100.00 | 89.60 | Intel(R) Fortran 23.0-1198 |
►Loop 2588 - multideterminante.f90:220-263 - exec [...] | 0.28 | 0.11 | 0.07 | 52 | 0.07 | 0.02 | 60.71 | |||
○Loop 2589 - multideterminante.f90:259-260 - exec | 2.13 | 0.67 | 0.54 | 52 | 0.19 | 0.05 | 54.93 | |||
►Loop 2587 - multideterminante.f90:220-263 - exec [...] | 0.1 | 0.04 | 0.03 | 52 | 0.04 | 0.01 | 2.00 | |||
○Loop 2586 - multideterminante.f90:240-263 - exec [...] | 0.01 | 0.01 | 0 | 23 | 0.02 | 0.00 | 0.00 | |||
►Loop 2590 - multideterminante.f90:220-251 - exec [...] | 0.03 | 0.03 | 0.01 | 47 | 0.02 | 0.01 | 68.00 | |||
►Loop 2596 - multideterminante.f90:220-249 - exec [...] | 0.5 | 0.17 | 0.13 | 52 | 0.10 | 0.02 | 160.00 | |||
○Loop 2600 - multideterminante.f90:243-244 - exec | 0.52 | 0.19 | 0.13 | 52 | 0.08 | 0.02 | 143.08 | |||
○Loop 2597 - multideterminante.f90:247-248 - exec | 0.3 | 0.12 | 0.08 | 52 | 0.08 | 0.02 | 172.25 | |||
○Loop 2598 - multideterminante.f90:247-248 - exec | 0.24 | 0.11 | 0.06 | 52 | 0.07 | 0.02 | 103.17 | |||
○Loop 2599 - multideterminante.f90:243-244 - exec | 0.09 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 398.50 | |||
►Loop 2591 - multideterminante.f90:220-249 - exec [...] | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 104.00 | |||
○Loop 2595 - multideterminante.f90:243-244 - exec | 0.1 | 0.04 | 0.02 | 52 | 0.05 | 0.01 | 73.50 | |||
○Loop 2593 - multideterminante.f90:247-248 - exec | 0.03 | 0.03 | 0.01 | 44 | 0.03 | 0.01 | 48.00 | |||
○Loop 2592 - multideterminante.f90:247-248 - exec | 0.03 | 0.02 | 0.01 | 48 | 0.02 | 0.00 | 75.00 | |||
○Loop 2594 - multideterminante.f90:243-244 - exec | 0.01 | 0.01 | 0 | 33 | 0.01 | 0.00 | 0.00 | |||
○phi_combine | exec | 4.15 | 1.17 | 1.04 | 52 | 0.25 | 0.06 | Exe (%): 100.00 | 11.89 | Intel(R) Fortran 23.0-1198 |
►__powidf2 | exec | 4.08 | 1.19 | 1.02 | 52 | 0.28 | 0.07 | Exe (%): 100.00 | 20.54 | |
►Loop 7925 - - exec | 1.25 | 0.43 | 0.31 | 52 | 0.19 | 0.05 | 14.58 | |||
○Loop 7926 - - exec | 2.31 | 0.69 | 0.58 | 52 | 0.20 | 0.05 | 19.10 | |||
►orbitals_quad | exec | 3.94 | 1.1 | 0.99 | 52 | 0.23 | 0.06 | Exe (%): 100.00 | 600.95 | Intel(R) Fortran 23.0-1198 |
○Loop 2401 - nonloc.f90:479-480 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2385 - nonloc.f90:460-846 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2384 - nonloc.f90:460-846 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2383 - nonloc.f90:460-846 - exec [...] | 0.03 | 0.02 | 0.01 | 45 | 0.02 | 0.01 | 36.00 | |||
►Loop 2397 - nonloc.f90:460-797 - exec [...] | 0.22 | 0.11 | 0.06 | 52 | 0.07 | 0.02 | 418.50 | |||
○Loop 2399 - nonloc.f90:795-796 - exec | 3.5 | 0.98 | 0.88 | 52 | 0.22 | 0.05 | 627.64 | |||
○Loop 2398 - nonloc.f90:795-796 - exec | 0.05 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | 973.00 | |||
►Loop 2394 - nonloc.f90:460-797 - exec [...] | 0.01 | 0.02 | 0 | 22 | 0.02 | 0.00 | 0.00 | |||
○Loop 2396 - nonloc.f90:795-796 - exec | 0.13 | 0.06 | 0.03 | 52 | 0.04 | 0.01 | 216.33 | |||
○Loop 2395 - nonloc.f90:795-796 - exec | 0 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
○Loop 2393 - nonloc.f90:795-797 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2400 - nonloc.f90:795-797 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2387 - nonloc.f90:812-813 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2392 - nonloc.f90:812-813 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2388 - nonloc.f90:460-822 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2389 - nonloc.f90:460-821 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2390 - nonloc.f90:819-820 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2391 - nonloc.f90:819-820 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2386 - nonloc.f90:460-838 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2402 - nonloc.f90:469-476 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2403 - nonloc.f90:470-475 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►orbitalse | exec | 3.67 | 1.13 | 0.92 | 52 | 0.26 | 0.06 | Exe (%): 100.00 | 757.38 | Intel(R) Fortran 23.0-1198 |
►Loop 3160 - orbitals.f90:807-1191 - exec [...] | 0.39 | 0.14 | 0.1 | 52 | 0.08 | 0.02 | 553.00 | |||
○Loop 3162 - orbitals.f90:807-1190 - exec [...] | 3.19 | 0.97 | 0.8 | 52 | 0.25 | 0.06 | 783.61 | |||
○Loop 3161 - orbitals.f90:807-1190 - exec [...] | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 728.00 | |||
►Loop 3182 - orbitals.f90:807-816 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3183 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3181 - orbitals.f90:809-816 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3184 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3186 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3185 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3163 - orbitals.f90:1181-1191 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3174 - orbitals.f90:1140-1152 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3187 - orbitals.f90:821-825 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3171 - orbitals.f90:807-1152 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3172 - orbitals.f90:807-1151 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3173 - orbitals.f90:807-1151 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3159 - orbitals.f90:1181-1191 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3165 - orbitals.f90:807-1176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3169 - orbitals.f90:1165-1175 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3166 - orbitals.f90:807-1175 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3167 - orbitals.f90:807-1174 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3168 - orbitals.f90:807-1174 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3164 - orbitals.f90:1165-1175 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3176 - orbitals.f90:807-1135 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3177 - orbitals.f90:807-1134 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3178 - orbitals.f90:807-1133 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3179 - orbitals.f90:807-1133 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3180 - orbitals.f90:1122-1134 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3175 - orbitals.f90:1122-1134 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3170 - orbitals.f90:1140-1152 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►optjas_deloc | exec | 3.25 | 0.97 | 0.82 | 52 | 0.20 | 0.05 | Exe (%): 100.00 | 137.05 | Intel(R) Fortran 23.0-1198 |
►Loop 4289 - optjas.f90:44-176 - exec [...] | 0.01 | 0.01 | 0 | 18 | 0.01 | 0.00 | 0.00 | |||
►Loop 4298 - optjas.f90:44-147 - exec [...] | 0.01 | 0.01 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
►Loop 4299 - optjas.f90:44-137 - exec [...] | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
►Loop 4302 - optjas.f90:44-123 - exec [...] | 0.13 | 0.07 | 0.03 | 52 | 0.06 | 0.01 | 21.33 | |||
►Loop 4303 - optjas.f90:116-122 - exec | 0.21 | 0.11 | 0.05 | 52 | 0.07 | 0.02 | 6.00 | |||
○Loop 4304 - optjas.f90:119-121 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4306 - optjas.f90:117-122 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4305 - optjas.f90:119-121 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4307 - optjas.f90:103-109 - exec | 0.11 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 11.67 | |||
○Loop 4301 - optjas.f90:128-131 - exec | 0.1 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | 0.00 | |||
○Loop 4300 - optjas.f90:128-131 - exec | 0 | 0.01 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
►Loop 4321 - optjas.f90:44-95 - exec [...] | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
►Loop 4326 - optjas.f90:44-94 - exec [...] | 0.06 | 0.04 | 0.01 | 52 | 0.04 | 0.01 | 511.00 | |||
►Loop 4328 - optjas.f90:44-93 - exec [...] | 0.22 | 0.09 | 0.05 | 52 | 0.07 | 0.02 | 128.60 | |||
○Loop 4329 - optjas.f90:88-90 - exec | 1.09 | 0.34 | 0.27 | 52 | 0.13 | 0.03 | 79.74 | |||
○Loop 4327 - optjas.f90:88-90 - exec | 0.04 | 0.02 | 0.01 | 44 | 0.02 | 0.01 | 0.00 | |||
►Loop 4331 - optjas.f90:88-93 - exec | 0.16 | 0.08 | 0.04 | 52 | 0.05 | 0.01 | 221.50 | |||
○Loop 4330 - optjas.f90:88-90 - exec | 1.04 | 0.32 | 0.26 | 52 | 0.14 | 0.03 | 250.19 | |||
►Loop 4322 - optjas.f90:44-94 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4324 - optjas.f90:44-93 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4323 - optjas.f90:88-90 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4325 - optjas.f90:88-90 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4308 - optjas.f90:44-98 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4311 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4312 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4313 - optjas.f90:44-98 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4314 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4310 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4315 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4309 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4319 - optjas.f90:97-97 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4320 - optjas.f90:97-97 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4316 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4318 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4317 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4290 - optjas.f90:173-175 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 4291 - optjas.f90:174-175 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4333 - optjas.f90:49-57 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4334 - optjas.f90:53-56 - exec | 0 | 0.01 | 0 | 23 | 0.02 | 0.00 | 0.00 | |||
►Loop 4295 - optjas.f90:44-159 - exec [...] | 0 | 0 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○Loop 4297 - optjas.f90:154-157 - exec | 0.03 | 0.02 | 0.01 | 49 | 0.02 | 0.01 | 336.00 | |||
○Loop 4296 - optjas.f90:154-157 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4292 - optjas.f90:44-171 - exec [...] | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 4294 - optjas.f90:168-169 - exec | 0.01 | 0.01 | 0 | 28 | 0.01 | 0.00 | 0.00 | |||
○Loop 4293 - optjas.f90:168-169 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4332 - optjas.f90:61-65 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4288 - optjas.f90:181-182 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►optorb_deriv | exec | 3.25 | 0.94 | 0.82 | 52 | 0.21 | 0.05 | Exe (%): 100.00 | 61.09 | Intel(R) Fortran 23.0-1198 |
►Loop 4433 - optorb.f90:39-94 - exec [...] | 0.28 | 0.1 | 0.07 | 52 | 0.07 | 0.02 | 60.14 | |||
►Loop 4434 - optorb.f90:39-87 - exec [...] | 1.56 | 0.48 | 0.39 | 52 | 0.18 | 0.04 | 57.77 | |||
○Loop 4436 - optorb.f90:69-73 - exec | 1.16 | 0.36 | 0.29 | 52 | 0.14 | 0.04 | 67.07 | |||
○Loop 4435 - optorb.f90:81-84 - exec | 0.25 | 0.11 | 0.06 | 52 | 0.07 | 0.02 | 65.00 | |||
○__libm_log_l9 | libimf.so | 3.09 | 0.89 | 0.77 | 52 | 0.26 | 0.06 | Math (%): 100.00 | 59.99 | |
○MPIDI_Bcast_intra_composition_epsilon_check | libmpi.so.12.0.0 | 2.48 | 0.76 | 0.62 | 52 | 0.37 | 0.09 | MPI (%): 100.00 | 0.00 | |
○MPID_Progress_idle_timer_init | libmpi.so.12.0.0 | 2.27 | 0.7 | 0.57 | 52 | 0.31 | 0.08 | MPI (%): 100.00 | 0.00 | |
►multideterminante | exec | 2.15 | 0.66 | 0.54 | 52 | 0.21 | 0.05 | Exe (%): 100.00 | 159.69 | Intel(R) Fortran 23.0-1198 |
►Loop 2545 - multideterminante.f90:37-184 - exec [...] | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 1.00 | |||
○Loop 2563 - multideterminante.f90:113-134 - exec | 0.2 | 0.11 | 0.05 | 52 | 0.07 | 0.02 | 35.60 | |||
○Loop 2549 - multideterminante.f90:166-169 - exec | 0.18 | 0.1 | 0.04 | 52 | 0.07 | 0.02 | 42.50 | |||
○Loop 2565 - multideterminante.f90:72-77 - exec | 0.16 | 0.09 | 0.04 | 52 | 0.06 | 0.02 | 14.00 | |||
○Loop 2585 - multideterminante.f90:52-54 - exec | 0.05 | 0.03 | 0.01 | 47 | 0.03 | 0.01 | 0.00 | |||
►Loop 2581 - multideterminante.f90:37-65 - exec [...] | 0.04 | 0.04 | 0.01 | 44 | 0.03 | 0.01 | 0.00 | |||
○Loop 2582 - multideterminante.f90:63-64 - exec | 0.05 | 0.04 | 0.01 | 46 | 0.03 | 0.01 | 0.00 | |||
○Loop 2580 - multideterminante.f90:63-64 - exec | 0.03 | 0.02 | 0.01 | 40 | 0.02 | 0.01 | 0.00 | |||
○Loop 2554 - multideterminante.f90:164-164 - exec | 0.02 | 0.02 | 0.01 | 32 | 0.02 | 0.00 | 0.00 | |||
○Loop 2546 - multideterminante.f90:180-181 - exec | 0.02 | 0.02 | 0.01 | 36 | 0.02 | 0.00 | 0.00 | |||
○Loop 2550 - multideterminante.f90:169-169 - exec | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
○Loop 2548 - multideterminante.f90:166-169 - exec | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
►Loop 2566 - multideterminante.f90:37-65 - exec [...] | 0 | 0 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
►Loop 2567 - multideterminante.f90:37-65 - exec [...] | 0.02 | 0.01 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
►Loop 2569 - multideterminante.f90:37-64 - exec [...] | 0.02 | 0.02 | 0.01 | 43 | 0.02 | 0.00 | 46.00 | |||
►Loop 2574 - multideterminante.f90:37-64 - exec [...] | 0.07 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 282.00 | |||
►Loop 2578 - multideterminante.f90:37-63 - exec [...] | 0.24 | 0.1 | 0.06 | 52 | 0.06 | 0.02 | 254.50 | |||
○Loop 2579 - multideterminante.f90:61-63 - exec | 0.32 | 0.13 | 0.08 | 52 | 0.07 | 0.02 | 264.00 | |||
○Loop 2568 - multideterminante.f90:61-63 - exec | 0.26 | 0.11 | 0.07 | 52 | 0.07 | 0.02 | 260.71 | |||
►Loop 2576 - multideterminante.f90:37-63 - exec [...] | 0.12 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 483.33 | |||
○Loop 2575 - multideterminante.f90:61-63 - exec | 0.11 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 97.00 | |||
○Loop 2577 - multideterminante.f90:61-63 - exec | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 96.50 | |||
►Loop 2571 - multideterminante.f90:37-64 - exec [...] | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
►Loop 2572 - multideterminante.f90:37-63 - exec [...] | 0.02 | 0.02 | 0.01 | 43 | 0.02 | 0.00 | 89.00 | |||
○Loop 2570 - multideterminante.f90:61-63 - exec | 0.02 | 0.03 | 0 | 32 | 0.02 | 0.01 | 0.00 | |||
○Loop 2573 - multideterminante.f90:61-63 - exec | 0.01 | 0.01 | 0 | 39 | 0.02 | 0.00 | 0.00 | |||
○Loop 2551 - multideterminante.f90:164-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2555 - multideterminante.f90:37-160 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2557 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2560 - multideterminante.f90:152-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2561 - multideterminante.f90:154-157 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2559 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2558 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2556 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2584 - multideterminante.f90:57-65 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2562 - multideterminante.f90:113-134 - exec | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 2564 - multideterminante.f90:72-77 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2552 - multideterminante.f90:164-180 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2583 - multideterminante.f90:63-65 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2547 - multideterminante.f90:169-169 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2553 - multideterminante.f90:164-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►multideterminant_hpsi | exec | 1.95 | 0.61 | 0.49 | 52 | 0.21 | 0.05 | Exe (%): 100.00 | 168.43 | Intel(R) Fortran 23.0-1198 |
►Loop 2602 - multideterminant.f90:58-305 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2601 - multideterminant.f90:58-305 - exec [...] | 0.02 | 0.02 | 0.01 | 36 | 0.02 | 0.00 | 1.00 | |||
○Loop 2613 - multideterminant.f90:157-163 - exec | 0.05 | 0.03 | 0.01 | 47 | 0.03 | 0.01 | 12.00 | |||
○Loop 2611 - multideterminant.f90:188-236 - exec [...] | 0.03 | 0.02 | 0.01 | 48 | 0.03 | 0.01 | 40.00 | |||
○Loop 2630 - multideterminant.f90:272-278 - exec | 0.03 | 0.02 | 0.01 | 49 | 0.03 | 0.01 | 42.00 | |||
○Loop 2632 - multideterminant.f90:272-278 - exec | 0.02 | 0.02 | 0.01 | 36 | 0.01 | 0.00 | 0.00 | |||
►Loop 2616 - multideterminant.f90:86-159 - exec [...] | 0.01 | 0.01 | 0 | 18 | 0.01 | 0.00 | 0.00 | |||
►Loop 2622 - multideterminant.f90:100-159 - exec [...] | 0.04 | 0.03 | 0.01 | 52 | 0.03 | 0.01 | 160.00 | |||
►Loop 2625 - multideterminant.f90:100-159 - exec [...] | 0.36 | 0.14 | 0.09 | 52 | 0.09 | 0.02 | 46.56 | |||
○Loop 2621 - multideterminant.f90:107-113 - exec | 1.13 | 0.38 | 0.28 | 52 | 0.17 | 0.04 | 195.71 | |||
○Loop 2626 - multideterminant.f90:107-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2624 - multideterminant.f90:107-117 - exec | 0.05 | 0.03 | 0.01 | 52 | 0.03 | 0.01 | 579.00 | |||
○Loop 2623 - multideterminant.f90:107-113 - exec | 0.19 | 0.09 | 0.05 | 52 | 0.07 | 0.02 | 297.20 | |||
►Loop 2617 - multideterminant.f90:98-159 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 2619 - multideterminant.f90:100-159 - exec [...] | 0 | 0 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
○Loop 2620 - multideterminant.f90:107-113 - exec | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
○Loop 2618 - multideterminant.f90:107-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2635 - multideterminant.f90:270-270 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2636 - multideterminant.f90:270-270 - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 2637 - multideterminant.f90:269-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2638 - multideterminant.f90:269-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2610 - multideterminant.f90:188-236 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2639 - multideterminant.f90:269-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2634 - multideterminant.f90:270-270 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2627 - multideterminant.f90:64-159 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2629 - multideterminant.f90:70-72 - exec | 0 | 0 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
○Loop 2628 - multideterminant.f90:70-72 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2614 - multideterminant.f90:147-147 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2633 - multideterminant.f90:270-270 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2615 - multideterminant.f90:147-147 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2612 - multideterminant.f90:157-163 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2631 - multideterminant.f90:272-278 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2640 - multideterminant.f90:269-269 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
►Loop 2607 - multideterminant.f90:245-251 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2609 - multideterminant.f90:247-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2608 - multideterminant.f90:247-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2605 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2603 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2606 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2604 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2644 - multideterminant.f90:259-264 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2643 - multideterminant.f90:261-263 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2641 - multideterminant.f90:259-264 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2642 - multideterminant.f90:261-263 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○slm | exec | 1.56 | 0.51 | 0.39 | 52 | 0.20 | 0.05 | Exe (%): 100.00 | 24.08 | Intel(R) Fortran 23.0-1198 |
►compute_ymat | exec | 1.17 | 0.36 | 0.29 | 52 | 0.15 | 0.04 | Exe (%): 100.00 | 67.93 | Intel(R) Fortran 23.0-1198 |
○Loop 2650 - multideterminant.f90:376-380 - exec | 0.17 | 0.07 | 0.04 | 52 | 0.06 | 0.01 | 34.75 | |||
○Loop 2649 - multideterminant.f90:406-420 - exec | 0.12 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 62.67 | |||
►Loop 2651 - multideterminant.f90:344-357 - exec [...] | 0.03 | 0.03 | 0.01 | 50 | 0.02 | 0.01 | 45.00 | |||
○Loop 2654 - multideterminant.f90:352-357 - exec | 0.42 | 0.15 | 0.1 | 52 | 0.08 | 0.02 | 111.40 | |||
○Loop 2653 - multideterminant.f90:353-357 - exec | 0.36 | 0.14 | 0.09 | 52 | 0.08 | 0.02 | 52.33 | |||
○Loop 2652 - multideterminant.f90:353-357 - exec | 0 | 0 | 0 | 7 | 0.01 | 0.00 | 0.00 | |||
○Loop 2657 - multideterminant.f90:346-446 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2645 - multideterminant.f90:344-440 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2646 - multideterminant.f90:432-438 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2648 - multideterminant.f90:435-437 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2647 - multideterminant.f90:435-437 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2656 - multideterminant.f90:347-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2659 - multideterminant.f90:344-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2658 - multideterminant.f90:346-346 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2660 - multideterminant.f90:344-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2655 - multideterminant.f90:346-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memset | exec | 1.04 | 0.32 | 0.26 | 52 | 0.12 | 0.03 | Memory (%): 100.00 | 0.38 | |
○Loop 7831 - - exec | 0.31 | 0.12 | 0.08 | 52 | 0.07 | 0.02 | 0.38 | |||
►deriv_nonlocj_quad4 | exec | 0.79 | 0.26 | 0.2 | 52 | 0.12 | 0.03 | Exe (%): 100.00 | 19.40 | Intel(R) Fortran 23.0-1198 |
►Loop 2309 - deriv_nonloc.f90:282-455 - exec [...] | 0.02 | 0.02 | 0.01 | 44 | 0.02 | 0.00 | 21.00 | |||
►Loop 2315 - deriv_nonloc.f90:324-449 - exec [...] | 0.4 | 0.15 | 0.1 | 52 | 0.09 | 0.02 | 19.70 | |||
○Loop 2319 - deriv_nonloc.f90:398-403 - exec | 0.22 | 0.1 | 0.05 | 52 | 0.07 | 0.02 | 15.00 | |||
○Loop 2321 - deriv_nonloc.f90:390-391 - exec | 0.07 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 27.50 | |||
►Loop 2316 - deriv_nonloc.f90:406-449 - exec [...] | 0.03 | 0.03 | 0.01 | 33 | 0.02 | 0.01 | 0.00 | |||
○Loop 2317 - deriv_nonloc.f90:409-410 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2318 - deriv_nonloc.f90:409-410 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2320 - deriv_nonloc.f90:390-391 - exec | 0.01 | 0.01 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○Loop 2314 - deriv_nonloc.f90:422-427 - exec | 0.02 | 0.01 | 0 | 40 | 0.02 | 0.00 | 0.00 | |||
►Loop 2311 - deriv_nonloc.f90:429-449 - exec [...] | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○Loop 2313 - deriv_nonloc.f90:432-434 - exec | 0.02 | 0.03 | 0 | 32 | 0.02 | 0.01 | 0.00 | |||
○Loop 2312 - deriv_nonloc.f90:432-434 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2326 - deriv_nonloc.f90:286-288 - exec | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
○Loop 2327 - deriv_nonloc.f90:291-295 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2324 - deriv_nonloc.f90:308-309 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2325 - deriv_nonloc.f90:308-309 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2322 - deriv_nonloc.f90:317-319 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2310 - deriv_nonloc.f90:443-451 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2323 - deriv_nonloc.f90:317-319 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2328 - deriv_nonloc.f90:265-278 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2330 - deriv_nonloc.f90:272-276 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2329 - deriv_nonloc.f90:267-269 - exec | 0 | 0 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○__libm_exp_l9 | libimf.so | 0.73 | 0.23 | 0.18 | 52 | 0.09 | 0.02 | Math (%): 100.00 | 45.94 | |
►psinl | exec | 0.7 | 0.26 | 0.18 | 52 | 0.12 | 0.03 | Exe (%): 100.00 | 13.56 | Intel(R) Fortran 23.0-1198 |
○Loop 3511 - nonlpsi.f90:32-63 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3506 - nonlpsi.f90:32-81 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3507 - nonlpsi.f90:32-81 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3509 - nonlpsi.f90:74-79 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3508 - nonlpsi.f90:74-79 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3510 - nonlpsi.f90:60-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►compute_zmat | exec | 0.67 | 0.22 | 0.17 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 141.12 | Intel(R) Fortran 23.0-1198 |
►Loop 2676 - multideterminant.f90:610-646 - exec [...] | 0 | 0 | 0 | 7 | 0.01 | 0.00 | 0.00 | |||
►Loop 2686 - multideterminant.f90:610-631 - exec [...] | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
►Loop 2687 - multideterminant.f90:623-630 - exec | 0.23 | 0.09 | 0.06 | 52 | 0.06 | 0.02 | 113.67 | |||
○Loop 2688 - multideterminant.f90:625-629 - exec | 0.26 | 0.11 | 0.07 | 52 | 0.07 | 0.02 | 72.14 | |||
○Loop 2689 - multideterminant.f90:623-630 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2690 - multideterminant.f90:623-630 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2678 - multideterminant.f90:610-643 - exec [...] | 0 | 0 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
►Loop 2683 - multideterminant.f90:610-642 - exec [...] | 0.03 | 0.02 | 0.01 | 47 | 0.02 | 0.01 | 162.00 | |||
○Loop 2679 - multideterminant.f90:638-641 - exec | 0.07 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 222.50 | |||
○Loop 2684 - multideterminant.f90:638-641 - exec | 0.05 | 0.04 | 0.01 | 52 | 0.04 | 0.01 | 512.00 | |||
○Loop 2685 - multideterminant.f90:638-642 - exec | 0 | 0 | 0 | 4 | 0.01 | 0.00 | 0.00 | |||
►Loop 2681 - multideterminant.f90:610-642 - exec [...] | 0 | 0 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
○Loop 2682 - multideterminant.f90:638-641 - exec | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
○Loop 2680 - multideterminant.f90:638-641 - exec | 0 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
○Loop 2677 - multideterminant.f90:638-642 - exec | 0 | 0 | 0 | 2 | 0.01 | 0.00 | 0.00 | |||
►jastrow4e | exec | 0.58 | 0.21 | 0.15 | 52 | 0.11 | 0.03 | Exe (%): 100.00 | 56.93 | Intel(R) Fortran 23.0-1198 |
►Loop 4236 - jastrow4e.f90:55-296 - exec [...] | 0.38 | 0.17 | 0.1 | 52 | 0.09 | 0.02 | 61.50 | |||
○Loop 4237 - jastrow4e.f90:131-134 - exec | 0.05 | 0.03 | 0.01 | 50 | 0.04 | 0.01 | 48.00 | |||
○Loop 4243 - jastrow4e.f90:172-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4245 - jastrow4e.f90:142-143 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4244 - jastrow4e.f90:172-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4247 - jastrow4e.f90:131-134 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4246 - jastrow4e.f90:142-143 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4238 - jastrow4e.f90:112-285 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4239 - jastrow4e.f90:136-252 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4240 - jastrow4e.f90:136-252 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4241 - jastrow4e.f90:136-250 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4242 - jastrow4e.f90:201-205 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4231 - jastrow4e.f90:55-356 - exec [...] | 0.1 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 47.67 | |||
○Loop 4235 - jastrow4e.f90:55-333 - exec [...] | 0.03 | 0.03 | 0.01 | 46 | 0.02 | 0.01 | 37.00 | |||
○Loop 4234 - jastrow4e.f90:330-333 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4232 - jastrow4e.f90:341-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4233 - jastrow4e.f90:341-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4248 - jastrow4e.f90:71-72 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4230 - jastrow4e.f90:71-72 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○scale_dist | exec | 0.56 | 0.19 | 0.14 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 55.07 | Intel(R) Fortran 23.0-1198 |
►nonlocj_quad4 | exec | 0.55 | 0.2 | 0.14 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 14.50 | Intel(R) Fortran 23.0-1198 |
►Loop 2414 - nonloc.f90:1092-1226 - exec [...] | 0.01 | 0.01 | 0 | 23 | 0.02 | 0.00 | 0.00 | |||
►Loop 2417 - nonloc.f90:1092-1199 - exec [...] | 0.21 | 0.1 | 0.05 | 52 | 0.08 | 0.02 | 16.20 | |||
○Loop 2418 - nonloc.f90:1192-1195 - exec | 0.31 | 0.13 | 0.08 | 52 | 0.07 | 0.02 | 11.50 | |||
○Loop 2416 - nonloc.f90:1204-1207 - exec | 0.02 | 0.02 | 0 | 40 | 0.02 | 0.00 | 0.00 | |||
○Loop 2419 - nonloc.f90:1117-1119 - exec | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 2420 - nonloc.f90:1122-1126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2415 - nonloc.f90:1092-1222 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2421 - nonloc.f90:1094-1098 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2422 - nonloc.f90:1095-1097 - exec | 0 | 0.01 | 0 | 9 | 0.02 | 0.00 | 0.00 | |||
►Loop 2423 - nonloc.f90:1102-1108 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2424 - nonloc.f90:1103-1107 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►multiply_slmi_mderiv_simple | exec | 0.5 | 0.17 | 0.13 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 162.23 | Intel(R) Fortran 23.0-1198 |
►Loop 3988 - multiply_slmi_mderiv.f90:18-36 - exec | 0.02 | 0.02 | 0 | 44 | 0.02 | 0.01 | 0.00 | |||
►Loop 3995 - multiply_slmi_mderiv.f90:18-35 - exec [...] | 0.03 | 0.02 | 0.01 | 44 | 0.02 | 0.01 | 105.00 | |||
►Loop 3996 - multiply_slmi_mderiv.f90:18-35 - exec [...] | 0.03 | 0.02 | 0.01 | 49 | 0.02 | 0.01 | 102.00 | |||
►Loop 3997 - multiply_slmi_mderiv.f90:18-34 - exec [...] | 0.05 | 0.05 | 0.01 | 52 | 0.04 | 0.01 | 125.00 | |||
○Loop 3999 - multiply_slmi_mderiv.f90:33-34 - exec | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 64.50 | |||
○Loop 3998 - multiply_slmi_mderiv.f90:33-34 - exec | 0.03 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | 74.00 | |||
►Loop 4001 - multiply_slmi_mderiv.f90:18-34 - exec [...] | 0.02 | 0.03 | 0.01 | 50 | 0.02 | 0.01 | 164.00 | |||
○Loop 4000 - multiply_slmi_mderiv.f90:33-34 - exec | 0.07 | 0.05 | 0.02 | 52 | 0.03 | 0.01 | 166.00 | |||
►Loop 3993 - multiply_slmi_mderiv.f90:18-34 - exec [...] | 0.03 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | 158.00 | |||
○Loop 3987 - multiply_slmi_mderiv.f90:25-26 - exec | 0.03 | 0.03 | 0.01 | 51 | 0.02 | 0.01 | 524.00 | |||
○Loop 3994 - multiply_slmi_mderiv.f90:25-26 - exec | 0.02 | 0.02 | 0 | 32 | 0.02 | 0.00 | 0.00 | |||
►Loop 3991 - multiply_slmi_mderiv.f90:18-27 - exec [...] | 0.02 | 0.01 | 0.01 | 48 | 0.02 | 0.00 | 86.00 | |||
○Loop 3990 - multiply_slmi_mderiv.f90:25-26 - exec | 0.03 | 0.02 | 0.01 | 49 | 0.03 | 0.01 | 109.00 | |||
○Loop 3992 - multiply_slmi_mderiv.f90:25-26 - exec | 0.01 | 0.02 | 0 | 37 | 0.02 | 0.01 | 0.00 | |||
○Loop 3989 - multiply_slmi_mderiv.f90:33-35 - exec | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
►nonloc | exec | 0.49 | 0.2 | 0.12 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 189.83 | Intel(R) Fortran 23.0-1198 |
►Loop 2332 - nonloc.f90:77-322 - exec [...] | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
►Loop 2333 - nonloc.f90:77-320 - exec [...] | 0.04 | 0.03 | 0.01 | 44 | 0.03 | 0.01 | 57.00 | |||
►Loop 2347 - nonloc.f90:77-260 - exec [...] | 0.01 | 0 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 2348 - nonloc.f90:258-259 - exec | 0.11 | 0.04 | 0.03 | 52 | 0.04 | 0.01 | 104.33 | |||
○Loop 2346 - nonloc.f90:258-259 - exec | 0 | 0 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
►Loop 2336 - nonloc.f90:77-277 - exec [...] | 0.01 | 0.01 | 0 | 38 | 0.02 | 0.00 | 0.00 | |||
►Loop 2341 - nonloc.f90:77-276 - exec [...] | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 2343 - nonloc.f90:273-275 - exec | 0.1 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 350.67 | |||
○Loop 2342 - nonloc.f90:273-275 - exec | 0 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
►Loop 2338 - nonloc.f90:77-276 - exec [...] | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 2340 - nonloc.f90:273-275 - exec | 0.08 | 0.08 | 0.02 | 52 | 0.05 | 0.01 | 249.00 | |||
○Loop 2339 - nonloc.f90:273-275 - exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 2337 - nonloc.f90:269-270 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2344 - nonloc.f90:269-270 - exec | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 2349 - nonloc.f90:77-247 - exec [...] | 0 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○Loop 2350 - nonloc.f90:246-247 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2335 - nonloc.f90:285-286 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2345 - nonloc.f90:253-260 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2334 - nonloc.f90:285-286 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2355 - nonloc.f90:191-194 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 2377 - nonloc.f90:77-115 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2376 - nonloc.f90:113-114 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2378 - nonloc.f90:113-114 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2352 - nonloc.f90:222-225 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2380 - nonloc.f90:110-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2374 - nonloc.f90:110-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2351 - nonloc.f90:216-219 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2375 - nonloc.f90:112-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2353 - nonloc.f90:200-203 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2357 - nonloc.f90:77-186 - exec [...] | 0 | 0.01 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 2358 - nonloc.f90:77-186 - exec [...] | 0.04 | 0.03 | 0.01 | 46 | 0.03 | 0.01 | 6.00 | |||
○Loop 2366 - nonloc.f90:151-168 - exec | 0.02 | 0.02 | 0.01 | 45 | 0.02 | 0.00 | 29.00 | |||
►Loop 2356 - nonloc.f90:77-186 - exec [...] | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
○Loop 2372 - nonloc.f90:130-132 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2373 - nonloc.f90:129-132 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2370 - nonloc.f90:77-132 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2369 - nonloc.f90:130-131 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2371 - nonloc.f90:130-131 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2367 - nonloc.f90:140-141 - exec | 0 | 0 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
○Loop 2360 - nonloc.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2362 - nonloc.f90:77-176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2363 - nonloc.f90:174-175 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2361 - nonloc.f90:174-175 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2368 - nonloc.f90:77-141 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2359 - nonloc.f90:179-180 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2364 - nonloc.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2365 - nonloc.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2379 - nonloc.f90:110-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2354 - nonloc.f90:206-209 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►deriv_psibnl | exec | 0.48 | 0.19 | 0.12 | 52 | 0.08 | 0.02 | Exe (%): 100.00 | 27.42 | Intel(R) Fortran 23.0-1198 |
○Loop 3409 - deriv_nonlpsi.f90:243-257 - exec | 0.09 | 0.05 | 0.02 | 51 | 0.04 | 0.01 | 44.50 | |||
○Loop 3411 - deriv_nonlpsi.f90:237-239 - exec | 0.07 | 0.04 | 0.02 | 52 | 0.03 | 0.01 | 30.50 | |||
○Loop 3408 - deriv_nonlpsi.f90:267-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3406 - deriv_nonlpsi.f90:273-280 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3410 - deriv_nonlpsi.f90:237-239 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3407 - deriv_nonlpsi.f90:267-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►deriv_jastrow4 | exec | 0.42 | 0.15 | 0.11 | 52 | 0.09 | 0.02 | Exe (%): 100.00 | 85.73 | Intel(R) Fortran 23.0-1198 |
►Loop 2471 - deriv_jastrow4.f90:76-488 - exec [...] | 0.15 | 0.07 | 0.04 | 52 | 0.06 | 0.01 | 63.75 | |||
○Loop 2484 - deriv_jastrow4.f90:194-258 - exec | 0.09 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 148.00 | |||
○Loop 2472 - deriv_jastrow4.f90:135-136 - exec | 0.01 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
○Loop 2486 - deriv_jastrow4.f90:172-176 - exec | 0.01 | 0.01 | 0 | 32 | 0.01 | 0.00 | 0.00 | |||
○Loop 2482 - deriv_jastrow4.f90:267-268 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2483 - deriv_jastrow4.f90:267-268 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2473 - deriv_jastrow4.f90:125-488 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2485 - deriv_jastrow4.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2474 - deriv_jastrow4.f90:76-475 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2475 - deriv_jastrow4.f90:296-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2476 - deriv_jastrow4.f90:316-448 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2477 - deriv_jastrow4.f90:316-447 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2478 - deriv_jastrow4.f90:322-446 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2481 - deriv_jastrow4.f90:370-374 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2479 - deriv_jastrow4.f90:403-419 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2480 - deriv_jastrow4.f90:370-374 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2502 - deriv_jastrow4.f90:77-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2487 - deriv_jastrow4.f90:115-117 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2489 - deriv_jastrow4.f90:111-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2497 - deriv_jastrow4.f90:76-109 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2498 - deriv_jastrow4.f90:104-108 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 2496 - deriv_jastrow4.f90:105-108 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2501 - deriv_jastrow4.f90:77-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2488 - deriv_jastrow4.f90:115-117 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2490 - deriv_jastrow4.f90:111-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2500 - deriv_jastrow4.f90:76-85 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2491 - deriv_jastrow4.f90:102-109 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2494 - deriv_jastrow4.f90:76-109 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2493 - deriv_jastrow4.f90:105-108 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2495 - deriv_jastrow4.f90:104-108 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2499 - deriv_jastrow4.f90:82-85 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2492 - deriv_jastrow4.f90:102-109 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2465 - deriv_jastrow4.f90:76-618 - exec [...] | 0 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
►Loop 2467 - deriv_jastrow4.f90:76-609 - exec [...] | 0.07 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 81.00 | |||
○Loop 2468 - deriv_jastrow4.f90:552-607 - exec | 0.06 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 81.50 | |||
○Loop 2470 - deriv_jastrow4.f90:526-530 - exec | 0.01 | 0.02 | 0 | 35 | 0.02 | 0.00 | 0.00 | |||
○Loop 2469 - deriv_jastrow4.f90:526-530 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2466 - deriv_jastrow4.f90:500-501 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memcpy | exec | 0.39 | 0.15 | 0.1 | 52 | 0.10 | 0.02 | Memory (%): 100.00 | 0.10 | |
○Loop 7830 - - exec | 0.25 | 0.1 | 0.06 | 52 | 0.07 | 0.02 | 0.17 | |||
○Loop 7829 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►compute_bmatrices_kin | exec | 0.36 | 0.13 | 0.09 | 52 | 0.09 | 0.02 | Exe (%): 100.00 | 219.67 | Intel(R) Fortran 23.0-1198 |
►Loop 3308 - determinant.f90:257-306 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3310 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3321 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3312 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3307 - determinant.f90:292-306 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3317 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3313 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3318 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3314 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3319 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3316 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3327 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3324 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3320 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3311 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3326 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3322 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3323 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3309 - determinant.f90:302-303 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3315 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3325 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3335 - determinant.f90:257-267 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3337 - determinant.f90:257-266 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 3338 - determinant.f90:263-265 - exec | 0.06 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 275.00 | |||
○Loop 3336 - determinant.f90:263-265 - exec | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
►Loop 3328 - determinant.f90:288-291 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3329 - determinant.f90:289-290 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3330 - determinant.f90:257-282 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3331 - determinant.f90:257-281 - exec [...] | 0.01 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
►Loop 3332 - determinant.f90:257-280 - exec [...] | 0.01 | 0.02 | 0 | 36 | 0.02 | 0.00 | 0.00 | |||
○Loop 3334 - determinant.f90:276-279 - exec | 0.27 | 0.1 | 0.07 | 52 | 0.07 | 0.02 | 173.43 | |||
○Loop 3333 - determinant.f90:276-279 - exec | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
►detsav | exec | 0.31 | 0.13 | 0.08 | 52 | 0.07 | 0.02 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4263 - detsav.f90:46-101 - exec | 0.02 | 0.02 | 0.01 | 33 | 0.02 | 0.00 | 0.00 | |||
○Loop 4272 - detsav.f90:70-71 - exec | 0.03 | 0.02 | 0.01 | 43 | 0.02 | 0.01 | 0.00 | |||
►Loop 4276 - detsav.f90:51-55 - exec | 0.02 | 0.01 | 0 | 35 | 0.01 | 0.00 | 0.00 | |||
○Loop 4277 - detsav.f90:53-54 - exec | 0.14 | 0.06 | 0.04 | 52 | 0.05 | 0.01 | 0.00 | |||
○Loop 4275 - detsav.f90:52-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4266 - detsav.f90:96-100 - exec | 0.02 | 0.01 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
○Loop 4269 - detsav.f90:86-89 - exec | 0.01 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
○Loop 4274 - detsav.f90:62-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4268 - detsav.f90:91-92 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4278 - detsav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4270 - detsav.f90:46-80 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4271 - detsav.f90:79-79 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4273 - detsav.f90:62-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4265 - detsav.f90:96-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4267 - detsav.f90:91-92 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4279 - detsav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4264 - detsav.f90:96-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►psibnl | exec | 0.29 | 0.13 | 0.07 | 52 | 0.08 | 0.02 | Exe (%): 100.00 | 21.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3517 - nonlpsi.f90:196-198 - exec | 0.07 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 32.00 | |||
○Loop 3519 - nonlpsi.f90:185-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3516 - nonlpsi.f90:196-198 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3518 - nonlpsi.f90:185-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__default_morecore | libc.so.6 | 0.28 | 0.12 | 0.07 | 52 | 0.07 | 0.02 | System (%): 100.00 | 0.00 | |
►metrop6 | exec | 0.26 | 0.1 | 0.06 | 52 | 0.06 | 0.02 | Exe (%): 100.00 | 36.33 | Intel(R) Fortran 23.0-1198 |
►Loop 6066 - metrop_mov1_slat.f90:145-785 - exec [...] | 0.2 | 0.09 | 0.05 | 52 | 0.05 | 0.01 | 33.40 | |||
○Loop 6073 - metrop_mov1_slat.f90:349-355 - exec | 0.02 | 0.03 | 0.01 | 47 | 0.02 | 0.00 | 26.00 | |||
○Loop 6064 - metrop_mov1_slat.f90:254-258 - exec | 0.01 | 0.02 | 0 | 34 | 0.02 | 0.00 | 0.00 | |||
○Loop 6070 - metrop_mov1_slat.f90:594-595 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6067 - metrop_mov1_slat.f90:647-649 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 6069 - metrop_mov1_slat.f90:598-599 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6068 - metrop_mov1_slat.f90:642-644 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6065 - metrop_mov1_slat.f90:318-322 - exec | 0 | 0 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 6071 - metrop_mov1_slat.f90:433-434 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6072 - metrop_mov1_slat.f90:429-430 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6055 - metrop_mov1_slat.f90:757-758 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6054 - metrop_mov1_slat.f90:757-758 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6049 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6050 - metrop_mov1_slat.f90:145-766 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6051 - metrop_mov1_slat.f90:762-766 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6058 - metrop_mov1_slat.f90:703-704 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6052 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6057 - metrop_mov1_slat.f90:145-727 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6042 - metrop_mov1_slat.f90:145-772 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6044 - metrop_mov1_slat.f90:770-772 - exec | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 6045 - metrop_mov1_slat.f90:769-772 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 6043 - metrop_mov1_slat.f90:770-772 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 6041 - metrop_mov1_slat.f90:769-772 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6053 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6061 - metrop_mov1_slat.f90:145-676 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6063 - metrop_mov1_slat.f90:674-675 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6062 - metrop_mov1_slat.f90:145-675 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6060 - metrop_mov1_slat.f90:685-686 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6059 - metrop_mov1_slat.f90:145-686 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 6056 - metrop_mov1_slat.f90:145-727 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 6046 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6048 - metrop_mov1_slat.f90:763-766 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6047 - metrop_mov1_slat.f90:145-766 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►for_check_mult_overflow64 | exec | 0.24 | 0.11 | 0.06 | 52 | 0.06 | 0.02 | Exe (%): 100.00 | 0.00 | |
○Loop 7154 - - exec | 0.12 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | 0.00 | |||
►allocate_periodic | exec | 0.23 | 0.06 | 0.06 | 52 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 381 - m_ewald.f90:213-223 - exec [...] | 0.02 | 0.02 | 0 | 31 | 0.02 | 0.00 | 0.00 | |||
○Loop 378 - m_ewald.f90:223-223 - exec | 0.11 | 0.04 | 0.03 | 51 | 0.03 | 0.01 | 0.00 | |||
○Loop 377 - m_ewald.f90:223-223 - exec | 0.09 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 0.00 | |||
○Loop 383 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 382 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 367 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 376 - m_ewald.f90:224-224 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 394 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 358 - m_ewald.f90:228-229 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 372 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 363 - m_ewald.f90:227-227 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 366 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 374 - m_ewald.f90:225-225 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 379 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 396 - m_ewald.f90:221-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 397 - m_ewald.f90:220-238 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 359 - m_ewald.f90:229-229 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 368 - m_ewald.f90:213-226 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 369 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 370 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 364 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 365 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 389 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 388 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 384 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 373 - m_ewald.f90:224-225 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 371 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 398 - m_ewald.f90:220-220 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 360 - m_ewald.f90:227-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 362 - m_ewald.f90:225-227 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 393 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 385 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 390 - m_ewald.f90:213-222 - exec [...] | 0 | 0 | 0 | 10 | 0.00 | 0.00 | 0.00 | |||
○Loop 387 - m_ewald.f90:222-222 - exec | 0.01 | 0.01 | 0 | 18 | 0.00 | 0.00 | 0.00 | |||
○Loop 386 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 392 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 391 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 361 - m_ewald.f90:228-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 380 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 375 - m_ewald.f90:221-224 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 395 - m_ewald.f90:220-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__libc_malloc | libc.so.6 | 0.2 | 0.08 | 0.05 | 52 | 0.06 | 0.01 | Memory (%): 100.00 | 0.00 | |
○for_allocate_handle | exec | 0.18 | 0.08 | 0.05 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 0.00 | |
►deriv_psianl | exec | 0.18 | 0.1 | 0.05 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 49.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3403 - deriv_nonlpsi.f90:157-171 - exec | 0.05 | 0.03 | 0.01 | 52 | 0.03 | 0.01 | 157.00 | |||
○Loop 3405 - deriv_nonlpsi.f90:153-155 - exec | 0.03 | 0.03 | 0.01 | 44 | 0.02 | 0.01 | 3.00 | |||
○Loop 3401 - deriv_nonlpsi.f90:178-180 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3402 - deriv_nonlpsi.f90:178-180 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3400 - deriv_nonlpsi.f90:142-191 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3404 - deriv_nonlpsi.f90:153-155 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3399 - deriv_nonlpsi.f90:183-191 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►gauss_pot | exec | 0.17 | 0.09 | 0.04 | 52 | 0.06 | 0.02 | Exe (%): 100.00 | 45.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3190 - readps_gauss.f90:72-87 - exec | 0.1 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 34.33 | |||
○Loop 3192 - readps_gauss.f90:72-87 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3191 - readps_gauss.f90:72-87 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○scale_dist1 | exec | 0.16 | 0.07 | 0.04 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 52.25 | Intel(R) Fortran 23.0-1198 |
►gammai | exec | 0.15 | 0.07 | 0.04 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 47.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2286 - gammai.f90:74-78 - exec | 0.08 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | 41.00 | |||
○Loop 2287 - gammai.f90:74-78 - exec | 0.04 | 0.02 | 0.01 | 46 | 0.02 | 0.01 | 22.00 | |||
○Loop 2285 - gammai.f90:94-106 - exec | 0.01 | 0.02 | 0 | 35 | 0.02 | 0.01 | 0.00 | |||
○Loop 2284 - gammai.f90:94-106 - exec | 0.01 | 0.01 | 0 | 29 | 0.01 | 0.00 | 0.00 | |||
►jastrow_factor4 | exec | 0.15 | 0.08 | 0.04 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 92.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4181 - jastrow4.f90:352-360 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4180 - jastrow4.f90:355-359 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4201 - jastrow4.f90:57-58 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4182 - jastrow4.f90:55-344 - exec [...] | 0 | 0 | 0 | 12 | 0.01 | 0.00 | 0.00 | |||
►Loop 4183 - jastrow4.f90:55-336 - exec [...] | 0.04 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | 83.00 | |||
○Loop 4185 - jastrow4.f90:314-318 - exec | 0.02 | 0.02 | 0 | 47 | 0.02 | 0.01 | 0.00 | |||
○Loop 4184 - jastrow4.f90:314-318 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4200 - jastrow4.f90:57-58 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4186 - jastrow4.f90:55-274 - exec [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
►Loop 4187 - jastrow4.f90:55-273 - exec [...] | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 98.50 | |||
○Loop 4198 - jastrow4.f90:128-138 - exec [...] | 0.01 | 0.01 | 0 | 34 | 0.01 | 0.00 | 0.00 | |||
○Loop 4199 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4193 - jastrow4.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4188 - jastrow4.f90:163-263 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4192 - jastrow4.f90:188-192 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4189 - jastrow4.f90:206-236 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4190 - jastrow4.f90:206-235 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4191 - jastrow4.f90:212-234 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4194 - jastrow4.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4195 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4196 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4197 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○scale_dist2 | exec | 0.15 | 0.06 | 0.04 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 55.75 | Intel(R) Fortran 23.0-1198 |
►distances | exec | 0.14 | 0.07 | 0.04 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 46.75 | Intel(R) Fortran 23.0-1198 |
○Loop 3982 - distances.f90:51-58 - exec | 0.03 | 0.02 | 0.01 | 38 | 0.02 | 0.00 | 0.00 | |||
○Loop 3969 - distances.f90:133-146 - exec | 0.02 | 0.02 | 0 | 43 | 0.02 | 0.00 | 0.00 | |||
○Loop 3970 - distances.f90:118-128 - exec | 0.01 | 0.02 | 0 | 37 | 0.02 | 0.00 | 0.00 | |||
○Loop 3984 - distances.f90:30-34 - exec | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
○Loop 3981 - distances.f90:42-47 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
►Loop 3976 - distances.f90:183-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3975 - distances.f90:188-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3968 - distances.f90:93-106 - exec | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
○Loop 3967 - distances.f90:96-105 - exec | 0.01 | 0.01 | 0 | 33 | 0.01 | 0.00 | 0.00 | |||
○Loop 3977 - distances.f90:216-224 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3983 - distances.f90:44-47 - exec | 0 | 0.01 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
►Loop 3972 - distances.f90:69-82 - exec | 0 | 0 | 0 | 7 | 0.01 | 0.00 | 0.00 | |||
○Loop 3971 - distances.f90:72-81 - exec | 0.02 | 0.01 | 0 | 40 | 0.02 | 0.00 | 0.00 | |||
○Loop 3978 - distances.f90:206-211 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3974 - distances.f90:69-82 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 3973 - distances.f90:72-81 - exec | 0.01 | 0.01 | 0 | 39 | 0.01 | 0.00 | 0.00 | |||
►Loop 3979 - distances.f90:165-174 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3980 - distances.f90:168-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○for_deallocate_handle | exec | 0.13 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 0.00 | |
○unknown_function | exec | 0.13 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 71.00 | |
►optorb_define | exec | 0.12 | 0.04 | 0.03 | 52 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4543 - optorb.f90:880-1045 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4544 - optorb.f90:880-1043 - exec [...] | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
►Loop 4548 - optorb.f90:880-1006 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 4549 - optorb.f90:880-1005 - exec [...] | 0.03 | 0.02 | 0.01 | 43 | 0.01 | 0.00 | 0.00 | |||
○Loop 4552 - optorb.f90:991-995 - exec | 0.07 | 0.04 | 0.02 | 52 | 0.03 | 0.01 | 0.00 | |||
○Loop 4551 - optorb.f90:999-1000 - exec | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
○Loop 4550 - optorb.f90:999-1000 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 4545 - optorb.f90:880-1039 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4546 - optorb.f90:1034-1038 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4547 - optorb.f90:1035-1038 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4557 - optorb.f90:880-939 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4558 - optorb.f90:880-935 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4559 - optorb.f90:880-934 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4560 - optorb.f90:932-933 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4561 - optorb.f90:932-933 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4566 - optorb.f90:912-924 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4567 - optorb.f90:915-922 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4568 - optorb.f90:916-917 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4569 - optorb.f90:916-917 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4570 - optorb.f90:881-890 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4571 - optorb.f90:882-889 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4554 - optorb.f90:880-946 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4555 - optorb.f90:944-945 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4553 - optorb.f90:944-945 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4556 - optorb.f90:937-939 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4562 - optorb.f90:880-935 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4563 - optorb.f90:880-934 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4565 - optorb.f90:932-933 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 4564 - optorb.f90:932-933 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►get_norbterm | exec | 0.12 | 0.03 | 0.03 | 52 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 4584 - get_norbterm.f90:59-132 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4597 - get_norbterm.f90:74-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4598 - get_norbterm.f90:75-82 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4585 - get_norbterm.f90:59-128 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4586 - get_norbterm.f90:59-127 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4587 - get_norbterm.f90:125-126 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4588 - get_norbterm.f90:125-126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4593 - get_norbterm.f90:105-117 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4594 - get_norbterm.f90:108-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4595 - get_norbterm.f90:109-110 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4596 - get_norbterm.f90:109-110 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4599 - get_norbterm.f90:63-125 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4583 - get_norbterm.f90:130-132 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4589 - get_norbterm.f90:59-128 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4590 - get_norbterm.f90:59-127 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4592 - get_norbterm.f90:125-126 - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 4591 - get_norbterm.f90:125-126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4600 - get_norbterm.f90:63-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4581 - get_norbterm.f90:59-139 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4582 - get_norbterm.f90:137-138 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4580 - get_norbterm.f90:137-138 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4572 - get_norbterm.f90:59-208 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4573 - get_norbterm.f90:59-206 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 4574 - get_norbterm.f90:59-195 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 4575 - get_norbterm.f90:59-194 - exec [...] | 0.04 | 0.02 | 0.01 | 47 | 0.02 | 0.01 | 0.00 | |||
○Loop 4579 - get_norbterm.f90:182-186 - exec | 0.05 | 0.03 | 0.01 | 50 | 0.02 | 0.01 | 0.00 | |||
○Loop 4577 - get_norbterm.f90:190-191 - exec | 0.02 | 0.01 | 0 | 38 | 0.01 | 0.00 | 0.00 | |||
○Loop 4578 - get_norbterm.f90:182-186 - exec | 0 | 0.01 | 0 | 12 | 0.01 | 0.00 | 0.00 | |||
○Loop 4576 - get_norbterm.f90:190-191 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
►determinante_psit | exec | 0.11 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | Exe (%): 100.00 | 198.67 | Intel(R) Fortran 23.0-1198 |
○Loop 3194 - determinante_psit.f90:25-26 - exec | 0.05 | 0.04 | 0.01 | 52 | 0.03 | 0.01 | 292.00 | |||
○Loop 3196 - determinante_psit.f90:29-30 - exec | 0.05 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | 292.00 | |||
○Loop 3193 - determinante_psit.f90:25-26 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3195 - determinante_psit.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►distance_quad | exec | 0.11 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 43.33 | Intel(R) Fortran 23.0-1198 |
○Loop 2381 - nonloc.f90:379-386 - exec | 0.1 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 38.33 | |||
○Loop 2382 - nonloc.f90:392-395 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►determinante | exec | 0.11 | 0.06 | 0.03 | 52 | 0.04 | 0.01 | Exe (%): 100.00 | 82.67 | Intel(R) Fortran 23.0-1198 |
►Loop 3339 - determinante.f90:38-64 - exec | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | 0.00 | |||
►Loop 3342 - determinante.f90:38-59 - exec [...] | 0.03 | 0.03 | 0.01 | 43 | 0.02 | 0.01 | 35.00 | |||
○Loop 3346 - determinante.f90:52-53 - exec | 0.02 | 0.02 | 0.01 | 39 | 0.02 | 0.00 | 55.00 | |||
○Loop 3345 - determinante.f90:56-57 - exec | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○Loop 3344 - determinante.f90:56-57 - exec | 0.01 | 0.02 | 0 | 25 | 0.02 | 0.00 | 0.00 | |||
○Loop 3343 - determinante.f90:52-53 - exec | 0.01 | 0.01 | 0 | 40 | 0.01 | 0.00 | 0.00 | |||
○Loop 3348 - determinante.f90:42-43 - exec | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 3341 - determinante.f90:38-62 - exec [...] | 0 | 0 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
○Loop 3340 - determinante.f90:38-62 - exec [...] | 0 | 0 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
○Loop 3347 - determinante.f90:42-43 - exec | 0 | 0.01 | 0 | 6 | 0.02 | 0.00 | 0.00 | |||
○mkl_dc_dgetri | libmkl_avx512.so.2 | 0.1 | 0.04 | 0.03 | 52 | 0.04 | 0.01 | Math (%): 100.00 | 8.33 | |
►bxmatrix | exec | 0.1 | 0.05 | 0.02 | 51 | 0.05 | 0.01 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3386 - bxmatrices.f90:28-42 - exec [...] | 0.01 | 0.01 | 0 | 12 | 0.01 | 0.00 | 0.00 | |||
○Loop 3387 - bxmatrices.f90:40-41 - exec | 0.03 | 0.02 | 0.01 | 46 | 0.02 | 0.00 | 0.00 | |||
○Loop 3385 - bxmatrices.f90:40-41 - exec | 0 | 0.01 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
►Loop 3389 - bxmatrices.f90:28-42 - exec [...] | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 3390 - bxmatrices.f90:40-41 - exec | 0.04 | 0.04 | 0.01 | 46 | 0.03 | 0.01 | 0.00 | |||
○Loop 3388 - bxmatrices.f90:40-41 - exec | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○log | libimf.so | 0.1 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | Math (%): 100.00 | 94.67 | |
►jassav | exec | 0.1 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 0.33 | Intel(R) Fortran 23.0-1198 |
►Loop 2263 - jassav.f90:16-57 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2262 - jassav.f90:16-57 - exec [...] | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
○Loop 2265 - jassav.f90:33-39 - exec | 0.03 | 0.02 | 0.01 | 40 | 0.01 | 0.00 | 0.00 | |||
○Loop 2270 - jassav.f90:53-56 - exec | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○Loop 2269 - jassav.f90:19-22 - exec | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | 0.00 | |||
○Loop 2267 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2268 - jassav.f90:25-26 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 2266 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2272 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2264 - jassav.f90:44-45 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2271 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2274 - jassav.f90:16-57 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2282 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2275 - jassav.f90:44-45 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2283 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2273 - jassav.f90:16-57 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2277 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2278 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2280 - jassav.f90:19-22 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2281 - jassav.f90:53-56 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2276 - jassav.f90:33-39 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2279 - jassav.f90:25-26 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►optorb_sum | exec | 0.09 | 0.05 | 0.02 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 100.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4451 - optorb.f90:157-210 - exec [...] | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4461 - optorb.f90:171-174 - exec | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 100.00 | |||
○Loop 4458 - optorb.f90:204-206 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4459 - optorb.f90:204-206 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4454 - optorb.f90:157-200 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4455 - optorb.f90:198-199 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4453 - optorb.f90:198-199 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4460 - optorb.f90:171-174 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4456 - optorb.f90:157-190 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4457 - optorb.f90:188-189 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4452 - optorb.f90:188-189 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4440 - optorb.f90:157-257 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4449 - optorb.f90:219-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4448 - optorb.f90:251-253 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4443 - optorb.f90:157-247 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4442 - optorb.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4444 - optorb.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4447 - optorb.f90:251-253 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4450 - optorb.f90:219-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4445 - optorb.f90:157-237 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4446 - optorb.f90:235-236 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4441 - optorb.f90:235-236 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__svml_exp1_l9 | exec | 0.09 | 0.06 | 0.02 | 52 | 0.04 | 0.01 | Math (%): 100.00 | 57.50 | |
○mkl_blas_avx512_xdcopy | libmkl_avx512.so.2 | 0.09 | 0.05 | 0.02 | 52 | 0.05 | 0.01 | Math (%): 100.00 | 0.00 | |
○mkl_lapack_ps_avx512_dgetrf_small | libmkl_avx512.so.2 | 0.08 | 0.05 | 0.02 | 51 | 0.04 | 0.01 | Math (%): 100.00 | 6.00 | |
►psianl | exec | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | Exe (%): 100.00 | 48.50 | Intel(R) Fortran 23.0-1198 |
○Loop 3513 - nonlpsi.f90:143-145 - exec | 0.02 | 0.01 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○Loop 3512 - nonlpsi.f90:143-145 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3514 - nonlpsi.f90:132-134 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3515 - nonlpsi.f90:132-134 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__libc_free | libc.so.6 | 0.08 | 0.04 | 0.02 | 50 | 0.03 | 0.01 | Memory (%): 100.00 | 0.00 | |
►getvps_gauss | exec | 0.07 | 0.04 | 0.02 | 52 | 0.03 | 0.01 | Exe (%): 100.00 | 86.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3188 - readps_gauss.f90:23-49 - exec | 0.06 | 0.04 | 0.01 | 52 | 0.03 | 0.01 | 159.00 | |||
○Loop 3189 - readps_gauss.f90:40-48 - exec | 0.01 | 0.02 | 0 | 28 | 0.02 | 0.00 | 0.00 | |||
►sr_hs | exec | 0.07 | 0.02 | 0.02 | 52 | 0.01 | 0.00 | Exe (%): 100.00 | 144.00 | Intel(R) Fortran 23.0-1198 |
○Loop 1188 - optwf_sr.f90:585-586 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1197 - optwf_sr.f90:532-533 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1212 - optwf_sr.f90:465-480 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1213 - optwf_sr.f90:477-478 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1214 - optwf_sr.f90:477-478 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1196 - optwf_sr.f90:542-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1181 - optwf_sr.f90:592-595 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1184 - optwf_sr.f90:465-617 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1189 - optwf_sr.f90:467-578 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1190 - optwf_sr.f90:574-577 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1215 - optwf_sr.f90:468-470 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1211 - optwf_sr.f90:484-485 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1191 - optwf_sr.f90:568-569 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1216 - optwf_sr.f90:468-470 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1185 - optwf_sr.f90:601-606 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1192 - optwf_sr.f90:568-569 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1195 - optwf_sr.f90:542-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1205 - optwf_sr.f90:465-511 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1209 - optwf_sr.f90:490-510 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1210 - optwf_sr.f90:490-491 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1206 - optwf_sr.f90:495-508 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 1207 - optwf_sr.f90:502-507 - exec | 0.06 | 0.02 | 0.02 | 52 | 0.01 | 0.00 | 129.50 | |||
○Loop 1208 - optwf_sr.f90:497-500 - exec | 0.01 | 0.01 | 0 | 35 | 0.01 | 0.00 | 0.00 | |||
○Loop 1194 - optwf_sr.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1193 - optwf_sr.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1182 - optwf_sr.f90:465-595 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1198 - optwf_sr.f90:532-533 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1187 - optwf_sr.f90:585-586 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1199 - optwf_sr.f90:465-528 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1200 - optwf_sr.f90:523-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1204 - optwf_sr.f90:519-520 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1201 - optwf_sr.f90:523-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1203 - optwf_sr.f90:519-520 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1202 - optwf_sr.f90:523-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1186 - optwf_sr.f90:465-606 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1183 - optwf_sr.f90:614-617 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►hpsi | exec | 0.07 | 0.05 | 0.02 | 51 | 0.04 | 0.01 | Exe (%): 100.00 | 79.50 | Intel(R) Fortran 23.0-1198 |
►Loop 4214 - hpsi.f90:88-166 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4216 - hpsi.f90:88-165 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4217 - hpsi.f90:163-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4215 - hpsi.f90:163-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4224 - hpsi.f90:88-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4223 - hpsi.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4225 - hpsi.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4221 - hpsi.f90:154-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4229 - hpsi.f90:131-132 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4207 - hpsi.f90:88-223 - exec [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
○Loop 4212 - hpsi.f90:185-186 - exec | 0 | 0 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
►Loop 4208 - hpsi.f90:88-202 - exec [...] | 0 | 0 | 0 | 7 | 0.01 | 0.00 | 0.00 | |||
►Loop 4209 - hpsi.f90:88-201 - exec [...] | 0.02 | 0.02 | 0.01 | 45 | 0.02 | 0.01 | 72.00 | |||
○Loop 4211 - hpsi.f90:198-200 - exec | 0.03 | 0.02 | 0.01 | 48 | 0.02 | 0.01 | 49.00 | |||
○Loop 4210 - hpsi.f90:198-200 - exec | 0.01 | 0.01 | 0 | 29 | 0.02 | 0.00 | 0.00 | |||
○Loop 4213 - hpsi.f90:172-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4218 - hpsi.f90:153-166 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4220 - hpsi.f90:161-165 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4219 - hpsi.f90:163-165 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4227 - hpsi.f90:154-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4228 - hpsi.f90:140-141 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4222 - hpsi.f90:156-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4226 - hpsi.f90:154-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○for_alloc_allocatable_handle | exec | 0.07 | 0.04 | 0.02 | 47 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | |
○unset_signal_ops | exec | 0.06 | 0.04 | 0.02 | 51 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | |
○_mm_malloc | exec | 0.06 | 0.04 | 0.02 | 51 | 0.03 | 0.01 | Memory (%): 100.00 | 0.00 | |
○for_dealloc_allocatable_handle | exec | 0.06 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | Exe (%): 100.00 | 19.50 | |
○unknown_kernel_region | kernel | 0.05 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | System (%): 75.39 MPI (%): 3.85 Math (%): 20.77 | 0.00 | |
►compute_determinante_grad | exec | 0.05 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | Exe (%): 100.00 | 41.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3356 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3352 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3353 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3354 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3355 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3351 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3358 - determinante.f90:120-148 - exec [...] | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
○Loop 3364 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3359 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3363 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3362 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3361 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3360 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3350 - determinante.f90:187-188 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 3357 - determinante.f90:120-177 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3349 - determinante.f90:120-227 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►determinant | exec | 0.05 | 0.04 | 0.01 | 47 | 0.03 | 0.01 | Exe (%): 100.00 | 10.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3300 - determinant.f90:49-117 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3302 - determinant.f90:65-102 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 3305 - determinant.f90:67-78 - exec | 0.02 | 0.02 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
○Loop 3306 - determinant.f90:88-93 - exec | 0.02 | 0.02 | 0.01 | 41 | 0.02 | 0.01 | 10.00 | |||
►Loop 3303 - determinant.f90:98-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3304 - determinant.f90:99-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3301 - determinant.f90:107-109 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○timer_settime | libc.so.6 | 0.05 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
○MPIDI_POSIX_Bcast_intra_numa_aware | libmpi.so.12.0.0 | 0.04 | 0.02 | 0.01 | 46 | 0.02 | 0.00 | MPI (%): 100.00 | 0.00 | |
►optorb_compute | exec | 0.04 | 0.03 | 0.01 | 47 | 0.03 | 0.01 | Exe (%): 100.00 | 64.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4437 - optorb.f90:115-127 - exec | 0 | 0 | 0 | 7 | 0.00 | 0.00 | 0.00 | |||
○Loop 4439 - optorb.f90:124-126 - exec | 0.04 | 0.03 | 0.01 | 46 | 0.03 | 0.01 | 64.00 | |||
○Loop 4438 - optorb.f90:124-126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►compute_dymat | exec | 0.03 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | Exe (%): 100.00 | 60.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2673 - multideterminant.f90:479-485 - exec | 0.02 | 0.02 | 0 | 38 | 0.02 | 0.00 | 0.00 | |||
○Loop 2672 - multideterminant.f90:497-532 - exec | 0.01 | 0.01 | 0 | 39 | 0.01 | 0.00 | 0.00 | |||
○Loop 2674 - multideterminant.f90:472-472 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2662 - multideterminant.f90:472-573 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2661 - multideterminant.f90:539-573 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2667 - multideterminant.f90:541-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2671 - multideterminant.f90:547-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2670 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2669 - multideterminant.f90:541-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2668 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2663 - multideterminant.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2664 - multideterminant.f90:541-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2665 - multideterminant.f90:541-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2666 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2675 - multideterminant.f90:472-472 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○exp | libimf.so | 0.03 | 0.03 | 0.01 | 50 | 0.02 | 0.01 | Math (%): 100.00 | 69.00 | |
○MPID_Progress_idle_timer_tick | libmpi.so.12.0.0 | 0.03 | 0.04 | 0.01 | 38 | 0.03 | 0.01 | MPI (%): 100.00 | 0.00 | |
○I_MPI_memcpy_nontemporal_avx2 | libmpi.so.12.0.0 | 0.03 | 0.02 | 0.01 | 50 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
►jastrowe | exec | 0.03 | 0.03 | 0.01 | 40 | 0.02 | 0.01 | Exe (%): 100.00 | 5.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2837 - jastrowe.f90:42-51 - exec | 0.01 | 0.02 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
○Loop 2838 - jastrowe.f90:45-48 - exec | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | 0.00 | |||
►Loop 2839 - jastrowe.f90:27-36 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2840 - jastrowe.f90:30-33 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►atimes_n | exec | 0.03 | 0.02 | 0.01 | 40 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 5290 - optwf_sr_more.f90:232-293 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5281 - optwf_sr_more.f90:257-258 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5278 - optwf_sr_more.f90:163-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5301 - optwf_sr_more.f90:166-167 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5292 - optwf_sr_more.f90:224-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5284 - optwf_sr_more.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5288 - optwf_sr_more.f90:238-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5291 - optwf_sr_more.f90:163-233 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5303 - optwf_sr_more.f90:285-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5285 - optwf_sr_more.f90:249-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5300 - optwf_sr_more.f90:166-167 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5299 - optwf_sr_more.f90:172-287 - exec [...] | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 5279 - optwf_sr_more.f90:163-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5302 - optwf_sr_more.f90:285-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5286 - optwf_sr_more.f90:249-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5289 - optwf_sr_more.f90:238-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5304 - optwf_sr_more.f90:277-278 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5287 - optwf_sr_more.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 5294 - optwf_sr_more.f90:163-211 - exec [...] | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 5298 - optwf_sr_more.f90:180-182 - exec | 0.02 | 0.01 | 0.01 | 36 | 0.01 | 0.00 | 0.00 | |||
○Loop 5296 - optwf_sr_more.f90:207-208 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5295 - optwf_sr_more.f90:207-208 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5297 - optwf_sr_more.f90:207-208 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5280 - optwf_sr_more.f90:253-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5283 - optwf_sr_more.f90:253-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5293 - optwf_sr_more.f90:219-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5305 - optwf_sr_more.f90:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5282 - optwf_sr_more.f90:257-258 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_ddot | libmkl_intel_thread.so.2 | 0.03 | 0.02 | 0.01 | 37 | 0.02 | 0.01 | Math (%): 100.00 | 1.00 | |
►determinante_ref_grad | exec | 0.03 | 0.03 | 0.01 | 43 | 0.02 | 0.01 | Exe (%): 100.00 | 32.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3366 - determinante.f90:319-322 - exec | 0.01 | 0.02 | 0 | 28 | 0.02 | 0.00 | 0.00 | |||
○Loop 3365 - determinante.f90:319-322 - exec | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
►psie | exec | 0.02 | 0.02 | 0 | 34 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2521 - hpsie.f90:70-71 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 2523 - hpsie.f90:45-61 - exec [...] | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 2522 - hpsie.f90:57-61 - exec | 0.01 | 0.01 | 0 | 14 | 0.00 | 0.00 | 0.00 | |||
○Loop 2524 - hpsie.f90:57-61 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○unknown_function | libc.so.6 | 0.02 | 0.02 | 0 | 33 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
○MPIDU_Init_shm_barrier | libmpi.so.12.0.0 | 0.02 | 0.01 | 0 | 35 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○pthread_spin_lock | libc.so.6 | 0.02 | 0.02 | 0.01 | 38 | 0.02 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○__libm_cos_l9 | libimf.so | 0.02 | 0.02 | 0 | 35 | 0.02 | 0.00 | Math (%): 100.00 | 0.00 | |
○next_uniform_double | exec | 0.02 | 0.02 | 0 | 36 | 0.02 | 0.01 | Exe (%): 100.00 | 0.00 | clang based Intel(R) oneAPI DPC++/C++ Compiler 2023.0.0 (2023.0.0.20221201) --intel -I /opt/intel/oneapi.old/mpi/2021.8.0/include -D TARGET_ARCHITECTURE="avx512" -D VECTORIZATION="avx512" -O2 -x CORE-AVX2 -fno-vectorize -fno-slp-vectorize -fno-openmp-simd... |
►allocate_tempor_test | exec | 0.02 | 0.01 | 0 | 48 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 400 - m_ewald.f90:344-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 406 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 401 - m_ewald.f90:343-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 411 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 402 - m_ewald.f90:343-343 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 405 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 410 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 399 - m_ewald.f90:343-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 407 - m_ewald.f90:340-342 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 403 - m_ewald.f90:342-342 - exec | 0.01 | 0.01 | 0 | 20 | 0.00 | 0.00 | 0.00 | |||
○Loop 404 - m_ewald.f90:342-342 - exec | 0.01 | 0 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
○Loop 408 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 409 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | 0.02 | 0.01 | 0.01 | 44 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
○getutmp | libc.so.6 | 0.02 | 0.02 | 0.01 | 46 | 0.01 | 0.00 | IO (%): 100.00 | 0.00 | |
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.02 | 0.02 | 0 | 29 | 0.02 | 0.00 | MPI (%): 100.00 | 0.00 | |
►optci_deloc | exec | 0.02 | 0.02 | 0.01 | 35 | 0.02 | 0.00 | Exe (%): 100.00 | 40.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4609 - optci.f90:40-102 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4613 - optci.f90:40-100 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4614 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4608 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4611 - optci.f90:40-100 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4612 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4610 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4615 - optci.f90:40-84 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4622 - optci.f90:56-58 - exec | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 4621 - optci.f90:65-68 - exec | 0.01 | 0.02 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○Loop 4620 - optci.f90:40-68 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4616 - optci.f90:40-81 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4618 - optci.f90:75-77 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4617 - optci.f90:74-77 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4619 - optci.f90:56-58 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4602 - optci.f90:40-102 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4606 - optci.f90:40-94 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4607 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4601 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4604 - optci.f90:40-94 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4605 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4603 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○inflate_fast | libmpi.so.12.0.0 | 0.02 | 0.01 | 0.01 | 51 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
►nonlocd_quad | exec | 0.02 | 0.02 | 0.01 | 39 | 0.02 | 0.01 | Exe (%): 100.00 | 30.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2404 - nonloc.f90:881-903 - exec [...] | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
○Loop 2407 - nonloc.f90:898-899 - exec | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 2405 - nonloc.f90:889-890 - exec | 0 | 0.01 | 0 | 7 | 0.02 | 0.00 | 0.00 | |||
○Loop 2408 - nonloc.f90:898-899 - exec | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 2406 - nonloc.f90:889-890 - exec | 0 | 0.01 | 0 | 12 | 0.01 | 0.00 | 0.00 | |||
►distancese_restore | exec | 0.02 | 0.02 | 0.01 | 34 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3985 - distances.f90:275-290 - exec [...] | 0.02 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
○Loop 3986 - distances.f90:266-270 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
►for_cpstr | exec | 0.02 | 0.02 | 0 | 35 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
○Loop 7308 - - exec | 0.01 | 0.01 | 0 | 18 | 0.00 | 0.00 | 0.00 | |||
○Loop 7309 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_intel_fast_memcpy | exec | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | Memory (%): 100.00 | 0.00 | |
○tcpx_eq_read | libtcp-fi.so | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○noinline_progress | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 18 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○ofi_cq_progress | librxm-fi.so | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○ofi_cq_readfrom | librxm-fi.so | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○rxm_ep_do_progress | librxm-fi.so | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○I_MPI_memcpy_avx2 | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
►matinv | exec | 0.01 | 0.01 | 0 | 19 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3042 - matinv.f90:69-82 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 3043 - matinv.f90:78-80 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3044 - matinv.f90:73-75 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○pthread_spin_init | libc.so.6 | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | Pthread (%): 100.00 | 0.00 | |
○tcpx_conn_mgr_run | libtcp-fi.so | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○MPID_Progress_test_impl | libmpi.so.12.0.0 | 0.01 | 0.02 | 0 | 15 | 0.02 | 0.00 | MPI (%): 100.00 | 0.00 | |
►optwf_store | exec | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 5270 - optwf_handle_wf.f90:1610-1628 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 5267 - optwf_handle_wf.f90:1651-1652 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5269 - optwf_handle_wf.f90:1636-1642 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5268 - optwf_handle_wf.f90:1651-1652 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_mm_free | exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | Memory (%): 100.00 | 0.00 | |
○mkl_blas_dcopy | libmkl_intel_thread.so.2 | 0.01 | 0.02 | 0 | 28 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○DDOT | libmkl_intel_lp64.so.2 | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►for_index | exec | 0.01 | 0.01 | 0 | 29 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
►Loop 7404 - - exec | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 7405 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○epoll_wait | libc.so.6 | 0.01 | 0.01 | 0 | 25 | 0.02 | 0.00 | IO (%): 100.00 | 0.00 | |
○ofi_cq_readfrom | libtcp-fi.so | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○_intel_fast_memset | exec | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | Memory (%): 100.00 | 0.00 | |
○MPIDI_OFI_progress | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○DCOPY | libmkl_intel_lp64.so.2 | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►optjas_sum | exec | 0.01 | 0.02 | 0 | 30 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4335 - optjas.f90:221-368 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4344 - optjas.f90:307-316 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4339 - optjas.f90:319-340 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4340 - optjas.f90:321-339 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4341 - optjas.f90:325-337 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4345 - optjas.f90:307-316 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4342 - optjas.f90:302-316 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4343 - optjas.f90:309-315 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4336 - optjas.f90:344-366 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4337 - optjas.f90:347-365 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4338 - optjas.f90:351-363 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4346 - optjas.f90:221-292 - exec | 0 | 0 | 0 | 2 | 0.01 | 0.00 | 0.00 | |||
►Loop 4353 - optjas.f90:227-240 - exec | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
○Loop 4354 - optjas.f90:234-239 - exec | 0 | 0 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 4356 - optjas.f90:232-240 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4355 - optjas.f90:232-240 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4350 - optjas.f90:243-264 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 4351 - optjas.f90:245-263 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4352 - optjas.f90:249-261 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4347 - optjas.f90:268-290 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 4348 - optjas.f90:271-289 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 4349 - optjas.f90:275-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►pot_local | exec | 0.01 | 0.01 | 0 | 12 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2184 - pot_local.f90:23-39 - exec [...] | 0 | 0 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 2185 - pot_local.f90:37-38 - exec | 0 | 0 | 0 | 4 | 0.01 | 0.00 | 0.00 | |||
○Loop 2183 - pot_local.f90:37-38 - exec | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
►Loop 2186 - pot_local.f90:23-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2188 - pot_local.f90:28-29 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2187 - pot_local.f90:28-29 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○impi_shm_heap_progress | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○mkl_blas_xddot | libmkl_core.so.2 | 0.01 | 0.01 | 0 | 17 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►update_ymat | exec | 0.01 | 0.01 | 0 | 12 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2691 - multideterminant.f90:680-682 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►for_write_seq_fmt_xmit | exec | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
►Loop 7210 - - exec | 0 | 0.01 | 0 | 7 | 0.02 | 0.00 | 0.00 | |||
○Loop 7216 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7215 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7211 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 7209 - - exec | 0 | 0 | 0 | 9 | 0.00 | 0.00 | 0.00 | |||
○Loop 7212 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7213 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7214 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7217 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►optorb_cum | exec | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 4462 - optorb.f90:323-323 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4463 - optorb.f90:279-315 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4465 - optorb.f90:292-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4469 - optorb.f90:288-311 - exec [...] | 0 | 0 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○Loop 4467 - optorb.f90:304-306 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4466 - optorb.f90:304-306 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4468 - optorb.f90:279-299 - exec [...] | 0 | 0.01 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
○Loop 4464 - optorb.f90:288-311 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►idiff | exec | 0.01 | 0.01 | 0 | 19 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2692 - multideterminant.f90:704-706 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○DGETRF | libmkl_intel_lp64.so.2 | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○ofi_cq_read | libtcp-fi.so | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○DDOT | libmkl_rt.so.2 | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○tcpx_cq_progress | libtcp-fi.so | 0.01 | 0.02 | 0 | 18 | 0.02 | 0.00 | Others (%): 100.00 | 0.00 | |
○ofi_eq_read | libtcp-fi.so | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○mkl_blas_ddot | libmkl_core.so.2 | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 |