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 | 10.98 | 2.97 | 2.78 | 52 | 0.38 | 0.09 | Exe (%): 100.00 | 18.65 | Intel(R) Fortran 23.0-1198 |
►Loop 3350 - basis_fns.f90:62-228 - exec [...] | 0.24 | 0.1 | 0.06 | 52 | 0.06 | 0.02 | 0.17 | |||
►Loop 3356 - basis_fns.f90:71-131 - exec [...] | 0.31 | 0.13 | 0.08 | 52 | 0.08 | 0.02 | 19.88 | |||
○Loop 3357 - basis_fns.f90:109-130 - exec [...] | 8.25 | 2.29 | 2.08 | 52 | 0.32 | 0.08 | 17.30 | |||
○Loop 3358 - basis_fns.f90:102-103 - exec | 1.49 | 0.48 | 0.38 | 52 | 0.14 | 0.03 | 11.45 | |||
○Loop 3359 - basis_fns.f90:93-98 - exec | 0.64 | 0.25 | 0.16 | 52 | 0.12 | 0.03 | 61.94 | |||
○Loop 3361 - basis_fns.f90:71-71 - exec | 0.02 | 0.02 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
○Loop 3360 - basis_fns.f90:71-71 - exec | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
►Loop 3351 - basis_fns.f90:71-212 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3352 - basis_fns.f90:71-207 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3353 - basis_fns.f90:174-206 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3354 - basis_fns.f90:167-168 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3355 - basis_fns.f90:158-163 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►orbitals | exec | 8.57 | 2.31 | 2.17 | 52 | 0.25 | 0.06 | Exe (%): 100.00 | 762.02 | Intel(R) Fortran 23.0-1198 |
►Loop 3129 - orbitals.f90:94-583 - exec [...] | 0.03 | 0.03 | 0.01 | 39 | 0.02 | 0.01 | 6.00 | |||
►Loop 3138 - orbitals.f90:94-579 - exec [...] | 0.89 | 0.29 | 0.22 | 52 | 0.12 | 0.03 | 616.36 | |||
○Loop 3140 - orbitals.f90:94-578 - exec [...] | 7.25 | 1.97 | 1.83 | 52 | 0.26 | 0.07 | 820.62 | |||
○Loop 3139 - orbitals.f90:94-578 - exec [...] | 0.16 | 0.07 | 0.04 | 52 | 0.05 | 0.01 | 401.75 | |||
○Loop 3143 - orbitals.f90:562-579 - exec [...] | 0.12 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | 0.00 | |||
○Loop 3137 - orbitals.f90:580-580 - exec | 0.11 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 3.67 | |||
►Loop 3146 - orbitals.f90:94-559 - exec [...] | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | 0.00 | |||
○Loop 3147 - orbitals.f90:559-559 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3148 - orbitals.f90:559-559 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3132 - orbitals.f90:94-581 - exec [...] | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 3133 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3134 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3130 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3150 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3149 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3144 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3135 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3145 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3142 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3141 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3131 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3136 - orbitals.f90:580-580 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 3110 - orbitals.f90:94-583 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3113 - orbitals.f90:94-581 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3115 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3114 - orbitals.f90:581-581 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3127 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3118 - orbitals.f90:580-580 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3119 - orbitals.f90:94-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3120 - orbitals.f90:94-578 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3121 - orbitals.f90:94-578 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3128 - orbitals.f90:558-558 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3111 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3112 - orbitals.f90:582-582 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3126 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3117 - orbitals.f90:580-580 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3122 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3125 - orbitals.f90:560-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3123 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3124 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3116 - orbitals.f90:562-579 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3151 - orbitals.f90:94-553 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3171 - orbitals.f90:94-552 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3173 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3191 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3184 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3172 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3188 - orbitals.f90:94-528 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3190 - orbitals.f90:528-528 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3189 - orbitals.f90:528-528 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3183 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3177 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3178 - orbitals.f90:549-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3174 - orbitals.f90:94-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3176 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3175 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3187 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3185 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3192 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3180 - orbitals.f90:94-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3182 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3181 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3186 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3179 - orbitals.f90:549-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3152 - orbitals.f90:94-552 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3170 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3164 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3153 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3166 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3167 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3154 - orbitals.f90:551-551 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3155 - orbitals.f90:94-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3156 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3157 - orbitals.f90:550-550 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3165 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3159 - orbitals.f90:549-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3161 - orbitals.f90:94-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3163 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3162 - orbitals.f90:94-547 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3169 - orbitals.f90:527-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3158 - orbitals.f90:531-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3168 - orbitals.f90:529-529 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3160 - orbitals.f90:549-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3202 - orbitals.f90:94-126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3203 - orbitals.f90:94-125 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3208 - orbitals.f90:110-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3210 - orbitals.f90:110-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3211 - orbitals.f90:94-104 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3213 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3215 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3216 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3214 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3217 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3212 - orbitals.f90:103-103 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3205 - orbitals.f90:94-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3206 - orbitals.f90:94-122 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3207 - orbitals.f90:94-122 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3204 - orbitals.f90:110-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3209 - orbitals.f90:110-123 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3193 - orbitals.f90:94-162 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3194 - orbitals.f90:94-161 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3200 - orbitals.f90:146-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3199 - orbitals.f90:146-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3201 - orbitals.f90:146-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3196 - orbitals.f90:94-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3198 - orbitals.f90:94-158 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3197 - orbitals.f90:94-158 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3195 - orbitals.f90:146-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3105 - orbitals.f90:675-687 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3108 - orbitals.f90:677-678 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3109 - orbitals.f90:680-681 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3106 - orbitals.f90:681-686 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3107 - orbitals.f90:684-685 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xddot | libmkl_avx512.so.2 | 8.33 | 2.16 | 2.11 | 52 | 0.11 | 0.03 | Math (%): 100.00 | 45.52 | |
○mkl_blas_avx512_dgemv_n_intrinsics | libmkl_avx512.so.2 | 8.28 | 2.13 | 2.09 | 52 | 0.07 | 0.02 | Math (%): 100.00 | 51.73 | |
○splfit | exec | 5.49 | 1.57 | 1.39 | 52 | 0.32 | 0.08 | Exe (%): 100.00 | 49.40 | Intel(R) Fortran 23.0-1198 |
►optjas_deloc | exec | 4.93 | 1.38 | 1.25 | 52 | 0.19 | 0.05 | Exe (%): 100.00 | 120.48 | Intel(R) Fortran 23.0-1198 |
►Loop 4376 - optjas.f90:44-176 - exec [...] | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
►Loop 4384 - optjas.f90:44-147 - exec [...] | 0.01 | 0.02 | 0 | 28 | 0.02 | 0.00 | 0.00 | |||
►Loop 4410 - optjas.f90:44-120 - exec [...] | 0.02 | 0.02 | 0 | 31 | 0.02 | 0.00 | 0.00 | |||
►Loop 4415 - optjas.f90:44-120 - exec [...] | 0.06 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | 117.50 | |||
►Loop 4419 - optjas.f90:44-120 - exec [...] | 3.51 | 1.02 | 0.89 | 52 | 0.21 | 0.05 | 124.08 | |||
○Loop 4420 - optjas.f90:88-120 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4417 - optjas.f90:44-120 - exec [...] | 0.18 | 0.08 | 0.05 | 52 | 0.06 | 0.02 | 72.20 | |||
○Loop 4418 - optjas.f90:88-120 - exec [...] | 0.42 | 0.17 | 0.11 | 52 | 0.10 | 0.03 | 118.18 | |||
○Loop 4416 - optjas.f90:88-90 - exec | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 641.50 | |||
►Loop 4411 - optjas.f90:44-120 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 4413 - optjas.f90:44-120 - exec [...] | 0.03 | 0.03 | 0.01 | 44 | 0.03 | 0.01 | 116.00 | |||
○Loop 4414 - optjas.f90:88-90 - exec | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 96.00 | |||
○Loop 4412 - optjas.f90:88-90 - exec | 0.01 | 0.02 | 0 | 21 | 0.02 | 0.00 | 0.00 | |||
►Loop 4385 - optjas.f90:44-137 - exec [...] | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
○Loop 4387 - optjas.f90:128-131 - exec | 0.18 | 0.07 | 0.04 | 52 | 0.06 | 0.02 | 0.00 | |||
○Loop 4396 - optjas.f90:105-109 - exec | 0.1 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 13.33 | |||
►Loop 4388 - optjas.f90:44-123 - exec [...] | 0.07 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | 20.00 | |||
►Loop 4391 - optjas.f90:44-122 - exec [...] | 0.04 | 0.03 | 0.01 | 44 | 0.03 | 0.01 | 4.00 | |||
○Loop 4390 - optjas.f90:119-121 - exec | 0.07 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 20.50 | |||
○Loop 4392 - optjas.f90:119-121 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4393 - optjas.f90:44-122 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4389 - optjas.f90:116-121 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4394 - optjas.f90:119-121 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4386 - optjas.f90:128-131 - exec | 0 | 0.01 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 4395 - optjas.f90:105-109 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4405 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 4407 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4406 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 4409 - optjas.f90:97-97 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4408 - optjas.f90:97-97 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4397 - optjas.f90:44-98 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4401 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4402 - optjas.f90:44-98 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4404 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4403 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4398 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4399 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4400 - optjas.f90:98-98 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4377 - optjas.f90:173-175 - exec | 0 | 0.01 | 0 | 4 | 0.01 | 0.00 | 0.00 | |||
○Loop 4378 - optjas.f90:173-175 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4379 - optjas.f90:166-171 - exec | 0 | 0 | 0 | 4 | 0.01 | 0.00 | 0.00 | |||
○Loop 4380 - optjas.f90:168-169 - exec | 0 | 0.01 | 0 | 13 | 0.01 | 0.00 | 0.00 | |||
►Loop 4381 - optjas.f90:44-159 - exec [...] | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
○Loop 4383 - optjas.f90:154-157 - exec | 0.03 | 0.04 | 0.01 | 51 | 0.03 | 0.01 | 348.00 | |||
○Loop 4382 - optjas.f90:154-157 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4422 - optjas.f90:61-65 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4423 - optjas.f90:49-57 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 4424 - optjas.f90:53-56 - exec | 0.01 | 0.02 | 0 | 24 | 0.02 | 0.00 | 0.00 | |||
○Loop 4421 - optjas.f90:61-65 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4375 - optjas.f90:181-182 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►__powidf2 | exec | 4.13 | 1.23 | 1.04 | 52 | 0.27 | 0.07 | Exe (%): 100.00 | 19.61 | |
►Loop 7947 - - exec | 1.3 | 0.43 | 0.33 | 52 | 0.17 | 0.04 | 16.27 | |||
○Loop 7948 - - exec | 2.26 | 0.7 | 0.57 | 52 | 0.18 | 0.05 | 17.46 | |||
○phi_combine | exec | 4.09 | 1.19 | 1.03 | 52 | 0.31 | 0.08 | Exe (%): 100.00 | 11.91 | Intel(R) Fortran 23.0-1198 |
►multideterminante_grad | exec | 4.01 | 1.14 | 1.01 | 52 | 0.29 | 0.07 | Exe (%): 100.00 | 143.84 | Intel(R) Fortran 23.0-1198 |
►Loop 2617 - multideterminante.f90:220-251 - exec [...] | 0.02 | 0.02 | 0 | 35 | 0.02 | 0.00 | 0.00 | |||
►Loop 2623 - multideterminante.f90:220-249 - exec [...] | 0.73 | 0.24 | 0.18 | 52 | 0.13 | 0.03 | 296.89 | |||
○Loop 2626 - multideterminante.f90:243-244 - exec | 0.31 | 0.13 | 0.08 | 52 | 0.09 | 0.02 | 68.25 | |||
○Loop 2624 - multideterminante.f90:247-248 - exec | 0.17 | 0.09 | 0.04 | 52 | 0.06 | 0.02 | 277.00 | |||
○Loop 2625 - multideterminante.f90:243-244 - exec | 0.16 | 0.07 | 0.04 | 52 | 0.06 | 0.01 | 323.75 | |||
►Loop 2618 - multideterminante.f90:220-249 - exec [...] | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 150.00 | |||
○Loop 2622 - multideterminante.f90:243-244 - exec | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 99.00 | |||
○Loop 2621 - multideterminante.f90:243-244 - exec | 0.04 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | 82.00 | |||
○Loop 2619 - multideterminante.f90:247-248 - exec | 0.02 | 0.01 | 0.01 | 41 | 0.02 | 0.00 | 56.00 | |||
○Loop 2620 - multideterminante.f90:247-248 - exec | 0.02 | 0.02 | 0.01 | 43 | 0.02 | 0.01 | 40.00 | |||
►Loop 2613 - multideterminante.f90:220-263 - exec [...] | 0.01 | 0.02 | 0 | 23 | 0.02 | 0.00 | 0.00 | |||
►Loop 2614 - multideterminante.f90:220-261 - exec [...] | 0.68 | 0.23 | 0.17 | 52 | 0.11 | 0.03 | 56.41 | |||
○Loop 2616 - multideterminante.f90:259-260 - exec | 1.27 | 0.44 | 0.32 | 52 | 0.16 | 0.04 | 134.78 | |||
○Loop 2615 - multideterminante.f90:259-260 - exec | 0.4 | 0.16 | 0.1 | 52 | 0.11 | 0.03 | 22.80 | |||
►orbitals_quad | exec | 3.77 | 1.05 | 0.95 | 52 | 0.23 | 0.06 | Exe (%): 100.00 | 634.43 | Intel(R) Fortran 23.0-1198 |
►Loop 2407 - nonloc.f90:460-846 - exec [...] | 0.01 | 0.01 | 0 | 33 | 0.02 | 0.00 | 0.00 | |||
►Loop 2422 - nonloc.f90:460-797 - exec [...] | 0.19 | 0.09 | 0.05 | 52 | 0.07 | 0.02 | 473.80 | |||
○Loop 2424 - nonloc.f90:795-796 - exec | 3.37 | 0.95 | 0.85 | 52 | 0.21 | 0.05 | 658.80 | |||
○Loop 2423 - nonloc.f90:795-796 - exec | 0.06 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 550.50 | |||
►Loop 2419 - nonloc.f90:460-797 - exec [...] | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
○Loop 2421 - nonloc.f90:795-796 - exec | 0.12 | 0.06 | 0.03 | 52 | 0.04 | 0.01 | 237.00 | |||
○Loop 2420 - nonloc.f90:795-796 - exec | 0 | 0.01 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○Loop 2425 - nonloc.f90:795-797 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2418 - nonloc.f90:795-797 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2408 - nonloc.f90:460-840 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2412 - nonloc.f90:812-813 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2413 - nonloc.f90:460-822 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2414 - nonloc.f90:460-821 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2415 - nonloc.f90:819-820 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2416 - nonloc.f90:819-820 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2417 - nonloc.f90:812-813 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2409 - nonloc.f90:460-839 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2410 - nonloc.f90:460-838 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2411 - nonloc.f90:460-838 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2427 - nonloc.f90:469-476 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2428 - nonloc.f90:470-475 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2426 - nonloc.f90:479-480 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►orbitalse | exec | 3.6 | 1.1 | 0.91 | 52 | 0.28 | 0.07 | Exe (%): 100.00 | 761.65 | Intel(R) Fortran 23.0-1198 |
►Loop 3222 - orbitals.f90:807-1191 - exec [...] | 0.4 | 0.16 | 0.1 | 52 | 0.08 | 0.02 | 551.70 | |||
○Loop 3224 - orbitals.f90:807-1190 - exec [...] | 3.09 | 0.95 | 0.78 | 52 | 0.27 | 0.07 | 797.98 | |||
○Loop 3223 - orbitals.f90:807-1190 - exec [...] | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 775.00 | |||
○Loop 3221 - orbitals.f90:1181-1191 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3243 - orbitals.f90:821-825 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3233 - orbitals.f90:807-1152 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3235 - orbitals.f90:807-1151 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3234 - orbitals.f90:807-1151 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3225 - orbitals.f90:1181-1191 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3244 - orbitals.f90:807-816 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3245 - orbitals.f90:807-815 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3247 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3251 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3249 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3248 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3250 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3246 - orbitals.f90:814-814 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3236 - orbitals.f90:1140-1152 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3238 - orbitals.f90:807-1135 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3242 - orbitals.f90:1122-1134 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3239 - orbitals.f90:807-1134 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3241 - orbitals.f90:807-1133 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3240 - orbitals.f90:807-1133 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3237 - orbitals.f90:1122-1134 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3232 - orbitals.f90:1140-1152 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3227 - orbitals.f90:807-1176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3228 - orbitals.f90:807-1175 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3229 - orbitals.f90:807-1174 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3230 - orbitals.f90:807-1174 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3231 - orbitals.f90:1165-1175 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3226 - orbitals.f90:1165-1175 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►multideterminant_hpsi | exec | 3.33 | 0.96 | 0.84 | 52 | 0.22 | 0.06 | Exe (%): 100.00 | 135.18 | Intel(R) Fortran 23.0-1198 |
►Loop 2627 - multideterminant.f90:58-305 - exec [...] | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
►Loop 2628 - multideterminant.f90:108-286 - exec [...] | 0.01 | 0.02 | 0 | 29 | 0.02 | 0.00 | 0.00 | |||
○Loop 2659 - multideterminant.f90:157-163 - exec | 0.05 | 0.03 | 0.01 | 48 | 0.03 | 0.01 | 12.00 | |||
○Loop 2631 - multideterminant.f90:272-278 - exec | 0.03 | 0.03 | 0.01 | 38 | 0.02 | 0.01 | 0.00 | |||
○Loop 2630 - multideterminant.f90:272-278 - exec | 0.03 | 0.03 | 0.01 | 45 | 0.03 | 0.01 | 28.00 | |||
○Loop 2657 - multideterminant.f90:188-236 - exec [...] | 0.02 | 0.02 | 0.01 | 34 | 0.01 | 0.00 | 4.00 | |||
○Loop 2632 - multideterminant.f90:270-270 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2629 - multideterminant.f90:272-278 - exec | 0 | 0 | 0 | 1 | 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 2658 - multideterminant.f90:157-163 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2640 - multideterminant.f90:108-265 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2643 - multideterminant.f90:108-264 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2644 - multideterminant.f90:261-263 - 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 | |||
○Loop 2647 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2649 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2654 - multideterminant.f90:159-251 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2655 - multideterminant.f90:247-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2653 - multideterminant.f90:247-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2652 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2645 - multideterminant.f90:108-264 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2646 - multideterminant.f90:108-263 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2641 - multideterminant.f90:261-263 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2651 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2648 - multideterminant.f90:254-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2650 - multideterminant.f90:254-254 - 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 2639 - multideterminant.f90:269-269 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 2635 - multideterminant.f90:270-270 - exec | 0 | 0.01 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○Loop 2656 - multideterminant.f90:188-236 - exec [...] | 0 | 0 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 2633 - multideterminant.f90:270-270 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2636 - multideterminant.f90:269-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2673 - multideterminant.f90:64-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2674 - multideterminant.f90:70-72 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2675 - multideterminant.f90:70-72 - exec | 0 | 0.01 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
○Loop 2661 - multideterminant.f90:147-147 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2662 - multideterminant.f90:86-159 - exec [...] | 0 | 0.01 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
►Loop 2667 - multideterminant.f90:100-159 - exec [...] | 0.04 | 0.03 | 0.01 | 45 | 0.02 | 0.01 | 17.00 | |||
►Loop 2671 - multideterminant.f90:100-159 - exec [...] | 2.59 | 0.74 | 0.66 | 52 | 0.19 | 0.05 | 132.68 | |||
○Loop 2672 - multideterminant.f90:107-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2669 - multideterminant.f90:100-159 - exec [...] | 0.18 | 0.07 | 0.04 | 52 | 0.05 | 0.01 | 309.75 | |||
○Loop 2670 - multideterminant.f90:107-113 - exec | 0.29 | 0.11 | 0.07 | 52 | 0.09 | 0.02 | 111.86 | |||
○Loop 2668 - multideterminant.f90:107-113 - exec | 0.05 | 0.03 | 0.01 | 52 | 0.03 | 0.01 | 475.00 | |||
►Loop 2663 - multideterminant.f90:98-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2665 - multideterminant.f90:100-159 - exec [...] | 0 | 0.01 | 0 | 15 | 0.01 | 0.00 | 0.00 | |||
○Loop 2666 - multideterminant.f90:107-113 - exec | 0 | 0.01 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
○Loop 2664 - multideterminant.f90:107-113 - exec | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
○Loop 2660 - multideterminant.f90:147-147 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__libm_log_l9 | libimf.so | 3.2 | 0.91 | 0.81 | 52 | 0.22 | 0.06 | Math (%): 100.00 | 67.21 | |
○MPIDI_Bcast_intra_composition_epsilon_check | libmpi.so.12.0.0 | 2.53 | 0.74 | 0.64 | 52 | 0.33 | 0.09 | MPI (%): 100.00 | 0.00 | |
►optorb_deriv | exec | 2.44 | 0.7 | 0.62 | 52 | 0.17 | 0.04 | Exe (%): 100.00 | 89.82 | Intel(R) Fortran 23.0-1198 |
►Loop 4522 - optorb.f90:39-94 - exec [...] | 0.22 | 0.1 | 0.06 | 52 | 0.07 | 0.02 | 195.33 | |||
►Loop 4523 - optorb.f90:39-87 - exec [...] | 0.7 | 0.24 | 0.18 | 52 | 0.11 | 0.03 | 130.67 | |||
○Loop 4527 - optorb.f90:71-73 - exec | 0.87 | 0.3 | 0.22 | 52 | 0.12 | 0.03 | 39.09 | |||
○Loop 4525 - optorb.f90:82-84 - exec | 0.31 | 0.15 | 0.08 | 52 | 0.09 | 0.02 | 31.88 | |||
○Loop 4526 - optorb.f90:71-73 - exec | 0.28 | 0.1 | 0.07 | 52 | 0.06 | 0.01 | 106.86 | |||
○Loop 4524 - optorb.f90:82-84 - exec | 0.06 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | 182.00 | |||
○MPID_Progress_idle_timer_init | libmpi.so.12.0.0 | 2.4 | 0.71 | 0.61 | 52 | 0.27 | 0.07 | MPI (%): 100.00 | 0.00 | |
►multideterminante | exec | 1.98 | 0.61 | 0.5 | 52 | 0.21 | 0.05 | Exe (%): 100.00 | 173.46 | Intel(R) Fortran 23.0-1198 |
►Loop 2567 - multideterminante.f90:37-184 - exec [...] | 0.08 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | 19.50 | |||
○Loop 2572 - multideterminante.f90:166-169 - exec | 0.19 | 0.1 | 0.05 | 52 | 0.08 | 0.02 | 37.80 | |||
○Loop 2591 - multideterminante.f90:72-77 - exec | 0.15 | 0.08 | 0.04 | 52 | 0.06 | 0.02 | 14.00 | |||
○Loop 2589 - multideterminante.f90:113-134 - exec | 0.09 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | 66.00 | |||
○Loop 2612 - multideterminante.f90:52-54 - exec | 0.06 | 0.04 | 0.02 | 50 | 0.03 | 0.01 | 0.00 | |||
○Loop 2569 - multideterminante.f90:180-181 - exec | 0.05 | 0.03 | 0.01 | 48 | 0.02 | 0.01 | 2.00 | |||
►Loop 2607 - multideterminante.f90:37-65 - exec [...] | 0.04 | 0.03 | 0.01 | 45 | 0.02 | 0.01 | 0.00 | |||
○Loop 2608 - multideterminante.f90:63-64 - exec | 0.05 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | 0.00 | |||
○Loop 2606 - multideterminante.f90:63-64 - exec | 0.03 | 0.03 | 0.01 | 41 | 0.02 | 0.01 | 0.00 | |||
○Loop 2577 - multideterminante.f90:164-164 - exec | 0.03 | 0.02 | 0.01 | 45 | 0.02 | 0.01 | 3.00 | |||
○Loop 2588 - multideterminante.f90:113-134 - exec | 0.02 | 0.01 | 0 | 37 | 0.02 | 0.00 | 0.00 | |||
○Loop 2573 - multideterminante.f90:169-169 - exec | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
►Loop 2592 - multideterminante.f90:37-65 - exec [...] | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | 0.00 | |||
►Loop 2593 - multideterminante.f90:37-65 - exec [...] | 0.01 | 0.03 | 0 | 24 | 0.02 | 0.01 | 0.00 | |||
►Loop 2595 - multideterminante.f90:37-64 - exec [...] | 0.02 | 0.02 | 0.01 | 43 | 0.02 | 0.00 | 32.00 | |||
►Loop 2600 - multideterminante.f90:37-64 - exec [...] | 0.07 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 286.00 | |||
►Loop 2604 - multideterminante.f90:37-63 - exec [...] | 0.22 | 0.1 | 0.06 | 52 | 0.07 | 0.02 | 314.00 | |||
○Loop 2605 - multideterminante.f90:61-63 - exec | 0.3 | 0.12 | 0.08 | 52 | 0.08 | 0.02 | 279.63 | |||
○Loop 2594 - multideterminante.f90:61-63 - exec | 0.16 | 0.07 | 0.04 | 52 | 0.06 | 0.01 | 309.00 | |||
►Loop 2602 - multideterminante.f90:37-63 - exec [...] | 0.12 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 448.00 | |||
○Loop 2601 - multideterminante.f90:61-63 - exec | 0.12 | 0.07 | 0.03 | 52 | 0.06 | 0.01 | 125.00 | |||
○Loop 2603 - multideterminante.f90:61-63 - exec | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 161.00 | |||
►Loop 2597 - multideterminante.f90:37-64 - exec [...] | 0 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
►Loop 2598 - multideterminante.f90:37-63 - exec [...] | 0.03 | 0.02 | 0.01 | 45 | 0.02 | 0.01 | 64.00 | |||
○Loop 2599 - multideterminante.f90:61-63 - exec | 0.02 | 0.02 | 0.01 | 38 | 0.01 | 0.00 | 26.00 | |||
○Loop 2596 - multideterminante.f90:61-63 - exec | 0.02 | 0.01 | 0.01 | 41 | 0.02 | 0.00 | 126.00 | |||
○Loop 2570 - multideterminante.f90:169-169 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 2578 - multideterminante.f90:37-160 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2584 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2580 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2579 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2583 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2581 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2586 - multideterminante.f90:37-158 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2585 - multideterminante.f90:154-157 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2587 - multideterminante.f90:156-157 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2582 - multideterminante.f90:159-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2610 - multideterminante.f90:57-65 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2576 - multideterminante.f90:164-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2575 - multideterminante.f90:164-181 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2571 - multideterminante.f90:166-169 - exec | 0 | 0.01 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○Loop 2590 - multideterminante.f90:72-77 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2568 - multideterminante.f90:180-181 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2574 - multideterminante.f90:164-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2611 - multideterminante.f90:52-54 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2609 - multideterminante.f90:63-65 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○slm | exec | 1.38 | 0.45 | 0.35 | 52 | 0.16 | 0.04 | Exe (%): 100.00 | 24.97 | Intel(R) Fortran 23.0-1198 |
►compute_ymat | exec | 1.25 | 0.42 | 0.32 | 52 | 0.15 | 0.04 | Exe (%): 100.00 | 58.97 | Intel(R) Fortran 23.0-1198 |
○Loop 2682 - multideterminant.f90:376-380 - exec | 0.18 | 0.09 | 0.05 | 52 | 0.07 | 0.02 | 24.40 | |||
○Loop 2680 - multideterminant.f90:406-420 - exec | 0.13 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | 61.67 | |||
►Loop 2684 - multideterminant.f90:344-357 - exec [...] | 0.03 | 0.02 | 0.01 | 46 | 0.02 | 0.00 | 30.00 | |||
○Loop 2687 - multideterminant.f90:354-357 - exec | 0.55 | 0.2 | 0.14 | 52 | 0.11 | 0.03 | 73.57 | |||
○Loop 2686 - multideterminant.f90:353-357 - exec | 0.29 | 0.13 | 0.07 | 52 | 0.08 | 0.02 | 73.00 | |||
○Loop 2683 - multideterminant.f90:352-357 - exec | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | 0.00 | |||
○Loop 2685 - multideterminant.f90:353-357 - exec | 0 | 0.01 | 0 | 4 | 0.01 | 0.00 | 0.00 | |||
○Loop 2689 - multideterminant.f90:347-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2681 - multideterminant.f90:376-380 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2688 - multideterminant.f90:347-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2691 - multideterminant.f90:346-346 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2676 - multideterminant.f90:344-440 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2677 - multideterminant.f90:432-438 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2679 - multideterminant.f90:435-437 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2678 - multideterminant.f90:435-437 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2693 - multideterminant.f90:344-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2692 - multideterminant.f90:344-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2690 - multideterminant.f90:346-346 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memset | exec | 1.1 | 0.39 | 0.28 | 52 | 0.16 | 0.04 | Memory (%): 100.00 | 1.07 | |
○Loop 7853 - - exec | 0.33 | 0.12 | 0.08 | 52 | 0.08 | 0.02 | 0.63 | |||
►deriv_nonlocj_quad4 | exec | 0.89 | 0.28 | 0.22 | 52 | 0.10 | 0.03 | Exe (%): 100.00 | 14.77 | Intel(R) Fortran 23.0-1198 |
►Loop 2339 - deriv_nonloc.f90:282-455 - exec [...] | 0.02 | 0.01 | 0.01 | 38 | 0.02 | 0.00 | 12.00 | |||
►Loop 2345 - deriv_nonloc.f90:324-449 - exec [...] | 0.43 | 0.18 | 0.11 | 52 | 0.08 | 0.02 | 13.36 | |||
○Loop 2349 - deriv_nonloc.f90:398-403 - exec | 0.23 | 0.1 | 0.06 | 52 | 0.06 | 0.02 | 9.50 | |||
○Loop 2351 - deriv_nonloc.f90:390-391 - exec | 0.09 | 0.06 | 0.02 | 52 | 0.05 | 0.01 | 39.50 | |||
►Loop 2346 - deriv_nonloc.f90:406-449 - exec [...] | 0.02 | 0.03 | 0.01 | 35 | 0.02 | 0.01 | 0.00 | |||
○Loop 2347 - deriv_nonloc.f90:409-410 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2348 - deriv_nonloc.f90:409-410 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2350 - deriv_nonloc.f90:390-391 - exec | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
○Loop 2344 - deriv_nonloc.f90:422-427 - exec | 0.02 | 0.01 | 0.01 | 45 | 0.02 | 0.00 | 24.00 | |||
○Loop 2356 - deriv_nonloc.f90:286-288 - exec | 0.01 | 0.02 | 0 | 25 | 0.02 | 0.00 | 0.00 | |||
○Loop 2353 - deriv_nonloc.f90:317-319 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2341 - deriv_nonloc.f90:429-449 - exec [...] | 0 | 0 | 0 | 8 | 0.00 | 0.00 | 0.00 | |||
○Loop 2343 - deriv_nonloc.f90:432-434 - exec | 0.03 | 0.02 | 0.01 | 39 | 0.02 | 0.00 | 0.00 | |||
○Loop 2342 - deriv_nonloc.f90:432-434 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2354 - deriv_nonloc.f90:308-309 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2340 - deriv_nonloc.f90:443-451 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2352 - deriv_nonloc.f90:317-319 - exec | 0 | 0.01 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2357 - deriv_nonloc.f90:291-295 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2355 - deriv_nonloc.f90:308-309 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2358 - deriv_nonloc.f90:265-278 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2359 - deriv_nonloc.f90:267-269 - exec | 0.01 | 0.02 | 0 | 13 | 0.02 | 0.00 | 0.00 | |||
○Loop 2360 - deriv_nonloc.f90:272-276 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__libm_exp_l9 | libimf.so | 0.76 | 0.25 | 0.19 | 52 | 0.11 | 0.03 | Math (%): 100.00 | 44.05 | |
►psinl | exec | 0.7 | 0.23 | 0.18 | 52 | 0.11 | 0.03 | Exe (%): 100.00 | 16.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3581 - nonlpsi.f90:32-63 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3580 - nonlpsi.f90:60-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3576 - nonlpsi.f90:32-81 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3577 - nonlpsi.f90:32-81 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3578 - nonlpsi.f90:74-79 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3579 - nonlpsi.f90:74-79 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►compute_zmat | exec | 0.66 | 0.23 | 0.17 | 52 | 0.11 | 0.03 | Exe (%): 100.00 | 150.65 | Intel(R) Fortran 23.0-1198 |
►Loop 2714 - multideterminant.f90:610-646 - exec [...] | 0 | 0.01 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 2716 - multideterminant.f90:610-643 - exec [...] | 0 | 0 | 0 | 9 | 0.01 | 0.00 | 0.00 | |||
►Loop 2719 - multideterminant.f90:610-642 - exec [...] | 0.2 | 0.09 | 0.05 | 52 | 0.06 | 0.01 | 170.40 | |||
○Loop 2720 - multideterminant.f90:638-641 - exec | 0.02 | 0.02 | 0.01 | 48 | 0.02 | 0.01 | 288.00 | |||
►Loop 2717 - multideterminant.f90:610-642 - exec [...] | 0.01 | 0.01 | 0 | 28 | 0.02 | 0.00 | 0.00 | |||
○Loop 2718 - multideterminant.f90:638-641 - exec | 0 | 0 | 0 | 7 | 0.01 | 0.00 | 0.00 | |||
○Loop 2715 - multideterminant.f90:638-642 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2721 - multideterminant.f90:638-642 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 2722 - multideterminant.f90:610-631 - exec [...] | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
►Loop 2724 - multideterminant.f90:610-630 - exec [...] | 0.1 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 226.50 | |||
○Loop 2725 - multideterminant.f90:626-629 - exec | 0.26 | 0.1 | 0.07 | 52 | 0.07 | 0.02 | 115.57 | |||
○Loop 2723 - multideterminant.f90:626-629 - exec | 0.06 | 0.03 | 0.02 | 48 | 0.04 | 0.01 | 21.50 | |||
○Loop 2727 - multideterminant.f90:623-630 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2726 - multideterminant.f90:623-630 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►nonlocj_quad4 | exec | 0.59 | 0.2 | 0.15 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 13.20 | Intel(R) Fortran 23.0-1198 |
►Loop 2439 - nonloc.f90:1092-1226 - exec [...] | 0.01 | 0.01 | 0 | 20 | 0.02 | 0.00 | 0.00 | |||
►Loop 2442 - nonloc.f90:1092-1199 - exec [...] | 0.24 | 0.1 | 0.06 | 52 | 0.07 | 0.02 | 19.67 | |||
○Loop 2443 - nonloc.f90:1192-1195 - exec | 0.32 | 0.12 | 0.08 | 52 | 0.07 | 0.02 | 6.00 | |||
○Loop 2441 - nonloc.f90:1204-1207 - exec | 0.02 | 0.02 | 0 | 39 | 0.02 | 0.00 | 0.00 | |||
○Loop 2444 - nonloc.f90:1117-1119 - exec | 0.01 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
○Loop 2440 - nonloc.f90:1092-1222 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2445 - nonloc.f90:1122-1126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2446 - nonloc.f90:1094-1098 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2447 - nonloc.f90:1095-1097 - exec | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
►Loop 2448 - nonloc.f90:1102-1108 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2449 - nonloc.f90:1103-1107 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►jastrow4e | exec | 0.57 | 0.21 | 0.14 | 52 | 0.10 | 0.03 | Exe (%): 100.00 | 59.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4320 - jastrow4e.f90:55-296 - exec [...] | 0.38 | 0.16 | 0.1 | 52 | 0.09 | 0.02 | 60.30 | |||
○Loop 4321 - jastrow4e.f90:131-134 - exec | 0.04 | 0.02 | 0.01 | 48 | 0.02 | 0.01 | 46.00 | |||
○Loop 4330 - jastrow4e.f90:142-143 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4328 - jastrow4e.f90:172-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4329 - jastrow4e.f90:142-143 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4327 - jastrow4e.f90:172-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4331 - jastrow4e.f90:142-143 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4322 - jastrow4e.f90:112-285 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4323 - jastrow4e.f90:201-205 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4324 - jastrow4e.f90:136-252 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4325 - jastrow4e.f90:136-251 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4326 - jastrow4e.f90:136-250 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4332 - jastrow4e.f90:131-134 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4314 - jastrow4e.f90:55-356 - exec [...] | 0.09 | 0.05 | 0.02 | 51 | 0.05 | 0.01 | 72.00 | |||
○Loop 4319 - jastrow4e.f90:55-333 - exec [...] | 0.03 | 0.02 | 0.01 | 46 | 0.02 | 0.01 | 22.00 | |||
○Loop 4318 - jastrow4e.f90:330-333 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4316 - jastrow4e.f90:341-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4315 - jastrow4e.f90:341-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4317 - jastrow4e.f90:341-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4313 - jastrow4e.f90:71-72 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4333 - jastrow4e.f90:71-72 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○scale_dist | exec | 0.52 | 0.2 | 0.13 | 52 | 0.11 | 0.03 | Exe (%): 100.00 | 58.77 | Intel(R) Fortran 23.0-1198 |
►multiply_slmi_mderiv_simple | exec | 0.5 | 0.19 | 0.13 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 152.15 | Intel(R) Fortran 23.0-1198 |
►Loop 4071 - multiply_slmi_mderiv.f90:18-36 - exec | 0.02 | 0.02 | 0 | 43 | 0.02 | 0.00 | 0.00 | |||
►Loop 4078 - multiply_slmi_mderiv.f90:18-35 - exec [...] | 0.04 | 0.02 | 0.01 | 51 | 0.03 | 0.01 | 102.00 | |||
►Loop 4079 - multiply_slmi_mderiv.f90:18-35 - exec [...] | 0.03 | 0.02 | 0.01 | 48 | 0.02 | 0.01 | 83.00 | |||
►Loop 4080 - multiply_slmi_mderiv.f90:18-34 - exec [...] | 0.05 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | 128.00 | |||
○Loop 4082 - multiply_slmi_mderiv.f90:33-34 - exec | 0.07 | 0.04 | 0.02 | 51 | 0.03 | 0.01 | 56.50 | |||
○Loop 4081 - multiply_slmi_mderiv.f90:33-34 - exec | 0.03 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | 61.00 | |||
►Loop 4084 - multiply_slmi_mderiv.f90:18-34 - exec [...] | 0.03 | 0.02 | 0.01 | 51 | 0.02 | 0.01 | 137.00 | |||
○Loop 4083 - multiply_slmi_mderiv.f90:33-34 - exec | 0.06 | 0.03 | 0.02 | 52 | 0.03 | 0.01 | 181.50 | |||
►Loop 4074 - multiply_slmi_mderiv.f90:18-27 - exec [...] | 0.03 | 0.03 | 0.01 | 51 | 0.02 | 0.01 | 100.00 | |||
○Loop 4073 - multiply_slmi_mderiv.f90:25-26 - exec | 0.03 | 0.02 | 0.01 | 50 | 0.02 | 0.00 | 129.00 | |||
○Loop 4075 - multiply_slmi_mderiv.f90:25-26 - exec | 0.01 | 0.02 | 0 | 33 | 0.02 | 0.00 | 0.00 | |||
►Loop 4076 - multiply_slmi_mderiv.f90:18-34 - exec [...] | 0.03 | 0.03 | 0.01 | 49 | 0.02 | 0.01 | 189.00 | |||
○Loop 4070 - multiply_slmi_mderiv.f90:25-26 - exec | 0.03 | 0.03 | 0.01 | 51 | 0.02 | 0.01 | 383.00 | |||
○Loop 4077 - multiply_slmi_mderiv.f90:25-26 - exec | 0.02 | 0.02 | 0.01 | 35 | 0.02 | 0.00 | 4.00 | |||
○Loop 4072 - multiply_slmi_mderiv.f90:33-35 - exec | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
►nonloc | exec | 0.5 | 0.18 | 0.13 | 52 | 0.10 | 0.03 | Exe (%): 100.00 | 212.38 | Intel(R) Fortran 23.0-1198 |
►Loop 2383 - nonloc.f90:77-186 - exec [...] | 0.04 | 0.03 | 0.01 | 46 | 0.02 | 0.01 | 0.00 | |||
○Loop 2391 - nonloc.f90:151-168 - exec | 0.02 | 0.01 | 0 | 32 | 0.01 | 0.00 | 0.00 | |||
►Loop 2382 - nonloc.f90:77-186 - exec [...] | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
○Loop 2397 - nonloc.f90:130-132 - exec | 0 | 0.01 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2398 - nonloc.f90:129-132 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2395 - nonloc.f90:77-132 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2394 - nonloc.f90:130-131 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2396 - nonloc.f90:130-131 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2392 - nonloc.f90:140-141 - exec | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 2384 - nonloc.f90:179-180 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2393 - nonloc.f90:77-141 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2390 - nonloc.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2385 - nonloc.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2389 - nonloc.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2387 - nonloc.f90:77-176 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2388 - nonloc.f90:174-175 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2386 - nonloc.f90:174-175 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2362 - nonloc.f90:77-322 - exec [...] | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | 0.00 | |||
►Loop 2363 - nonloc.f90:77-320 - exec [...] | 0.05 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | 82.00 | |||
►Loop 2374 - nonloc.f90:77-260 - exec [...] | 0.01 | 0.01 | 0 | 29 | 0.01 | 0.00 | 0.00 | |||
○Loop 2375 - nonloc.f90:258-259 - exec | 0.1 | 0.06 | 0.02 | 52 | 0.04 | 0.01 | 167.00 | |||
►Loop 2367 - nonloc.f90:77-277 - exec [...] | 0.01 | 0.02 | 0 | 28 | 0.01 | 0.00 | 0.00 | |||
►Loop 2368 - nonloc.f90:77-276 - exec [...] | 0.02 | 0.02 | 0 | 48 | 0.02 | 0.00 | 0.00 | |||
○Loop 2369 - nonloc.f90:273-275 - exec | 0.09 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 356.00 | |||
►Loop 2370 - nonloc.f90:77-276 - exec [...] | 0.02 | 0.02 | 0.01 | 43 | 0.02 | 0.01 | 152.00 | |||
○Loop 2371 - nonloc.f90:273-275 - exec | 0.1 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | 365.33 | |||
○Loop 2372 - nonloc.f90:269-270 - exec | 0 | 0.01 | 0 | 10 | 0.01 | 0.00 | 0.00 | |||
○Loop 2366 - nonloc.f90:253-260 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2365 - nonloc.f90:285-286 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2373 - nonloc.f90:253-260 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2364 - nonloc.f90:285-286 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2376 - nonloc.f90:246-247 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2377 - nonloc.f90:216-219 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2403 - nonloc.f90:110-115 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2399 - nonloc.f90:110-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2381 - nonloc.f90:191-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2404 - nonloc.f90:110-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2380 - nonloc.f90:206-209 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2378 - nonloc.f90:222-225 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2379 - nonloc.f90:200-203 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2401 - nonloc.f90:77-115 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2402 - nonloc.f90:113-114 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2400 - nonloc.f90:113-114 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►deriv_psibnl | exec | 0.47 | 0.17 | 0.12 | 52 | 0.10 | 0.03 | Exe (%): 100.00 | 34.92 | Intel(R) Fortran 23.0-1198 |
○Loop 3471 - deriv_nonlpsi.f90:243-257 - exec | 0.09 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 58.00 | |||
○Loop 3473 - deriv_nonlpsi.f90:237-239 - exec | 0.07 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | 36.00 | |||
○Loop 3468 - deriv_nonlpsi.f90:222-280 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3467 - deriv_nonlpsi.f90:222-280 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3466 - deriv_nonlpsi.f90:273-280 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3470 - deriv_nonlpsi.f90:267-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3469 - deriv_nonlpsi.f90:267-269 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3472 - deriv_nonlpsi.f90:237-239 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►distances | exec | 0.45 | 0.18 | 0.11 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 19.18 | Intel(R) Fortran 23.0-1198 |
○Loop 4052 - distances.f90:133-146 - exec | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 21.00 | |||
○Loop 4053 - distances.f90:118-128 - exec | 0.08 | 0.05 | 0.02 | 51 | 0.04 | 0.01 | 14.00 | |||
○Loop 4065 - distances.f90:51-58 - exec | 0.03 | 0.02 | 0.01 | 37 | 0.02 | 0.00 | 0.00 | |||
○Loop 4067 - distances.f90:30-34 - exec | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
►Loop 4051 - distances.f90:93-106 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4050 - distances.f90:96-105 - exec | 0.09 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | 20.00 | |||
○Loop 4064 - distances.f90:42-47 - exec | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
►Loop 4055 - distances.f90:69-82 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4054 - distances.f90:72-81 - exec | 0.11 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | 21.67 | |||
►Loop 4057 - distances.f90:69-82 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4056 - distances.f90:72-81 - exec | 0.01 | 0.02 | 0 | 35 | 0.02 | 0.00 | 0.00 | |||
►Loop 4062 - distances.f90:165-174 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4063 - distances.f90:168-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4060 - distances.f90:216-224 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4066 - distances.f90:44-47 - exec | 0 | 0.01 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
►Loop 4059 - distances.f90:183-194 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4058 - distances.f90:188-193 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4061 - distances.f90:206-211 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►deriv_jastrow4 | exec | 0.43 | 0.17 | 0.11 | 52 | 0.10 | 0.02 | Exe (%): 100.00 | 80.82 | Intel(R) Fortran 23.0-1198 |
►Loop 2495 - deriv_jastrow4.f90:76-488 - exec [...] | 0.14 | 0.07 | 0.04 | 52 | 0.05 | 0.01 | 54.50 | |||
○Loop 2508 - deriv_jastrow4.f90:194-258 - exec | 0.09 | 0.06 | 0.02 | 52 | 0.05 | 0.01 | 164.00 | |||
○Loop 2510 - deriv_jastrow4.f90:172-176 - exec | 0.01 | 0.01 | 0 | 34 | 0.02 | 0.00 | 0.00 | |||
○Loop 2496 - deriv_jastrow4.f90:135-136 - exec | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
○Loop 2507 - deriv_jastrow4.f90:267-268 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2498 - deriv_jastrow4.f90:76-475 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2499 - deriv_jastrow4.f90:296-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2500 - deriv_jastrow4.f90:316-448 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2501 - deriv_jastrow4.f90:316-447 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2502 - deriv_jastrow4.f90:322-446 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2505 - deriv_jastrow4.f90:370-374 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2503 - deriv_jastrow4.f90:403-419 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2504 - deriv_jastrow4.f90:370-374 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2506 - deriv_jastrow4.f90:267-268 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2497 - deriv_jastrow4.f90:125-488 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2509 - deriv_jastrow4.f90:172-176 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2520 - deriv_jastrow4.f90:102-109 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2515 - deriv_jastrow4.f90:102-109 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2516 - deriv_jastrow4.f90:105-108 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2523 - deriv_jastrow4.f90:77-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2517 - deriv_jastrow4.f90:104-109 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2518 - deriv_jastrow4.f90:105-108 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2521 - deriv_jastrow4.f90:82-85 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2489 - deriv_jastrow4.f90:76-618 - exec [...] | 0 | 0.01 | 0 | 16 | 0.01 | 0.00 | 0.00 | |||
►Loop 2491 - deriv_jastrow4.f90:76-609 - exec [...] | 0.09 | 0.06 | 0.02 | 52 | 0.04 | 0.01 | 83.50 | |||
○Loop 2493 - deriv_jastrow4.f90:552-607 - exec | 0.06 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 67.50 | |||
○Loop 2492 - deriv_jastrow4.f90:526-530 - exec | 0.01 | 0.02 | 0 | 29 | 0.02 | 0.00 | 0.00 | |||
○Loop 2494 - deriv_jastrow4.f90:526-530 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2490 - deriv_jastrow4.f90:500-501 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2513 - deriv_jastrow4.f90:111-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2519 - deriv_jastrow4.f90:102-109 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2514 - deriv_jastrow4.f90:111-113 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2511 - deriv_jastrow4.f90:115-117 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2512 - deriv_jastrow4.f90:115-117 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2522 - deriv_jastrow4.f90:77-78 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►__intel_avx_rep_memcpy | exec | 0.41 | 0.16 | 0.1 | 52 | 0.10 | 0.02 | Memory (%): 100.00 | 0.10 | |
○Loop 7852 - - exec | 0.27 | 0.11 | 0.07 | 52 | 0.08 | 0.02 | 0.00 | |||
○Loop 7851 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►compute_bmatrices_kin | exec | 0.36 | 0.15 | 0.09 | 52 | 0.09 | 0.02 | Exe (%): 100.00 | 208.89 | Intel(R) Fortran 23.0-1198 |
►Loop 3372 - determinant.f90:257-306 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3379 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3378 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3381 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3374 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3391 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3385 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3386 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3387 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3380 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3390 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3377 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3382 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3389 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3384 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3371 - determinant.f90:292-306 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3376 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3373 - determinant.f90:302-303 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3383 - determinant.f90:299-299 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3388 - determinant.f90:298-298 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3375 - determinant.f90:300-300 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3398 - determinant.f90:257-267 - exec | 0 | 0.01 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 3399 - determinant.f90:257-266 - exec | 0.01 | 0.01 | 0 | 31 | 0.01 | 0.00 | 0.00 | |||
○Loop 3400 - determinant.f90:263-265 - exec | 0.06 | 0.03 | 0.01 | 52 | 0.03 | 0.01 | 532.00 | |||
►Loop 3392 - determinant.f90:288-291 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3393 - determinant.f90:289-290 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3394 - determinant.f90:257-282 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3395 - determinant.f90:257-281 - exec [...] | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
►Loop 3396 - determinant.f90:257-280 - exec [...] | 0.05 | 0.04 | 0.01 | 50 | 0.03 | 0.01 | 236.00 | |||
○Loop 3397 - determinant.f90:276-279 - exec | 0.24 | 0.11 | 0.06 | 52 | 0.08 | 0.02 | 170.67 | |||
►detsav | exec | 0.31 | 0.12 | 0.08 | 52 | 0.08 | 0.02 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4349 - detsav.f90:46-101 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4348 - detsav.f90:46-101 - exec [...] | 0.02 | 0.02 | 0.01 | 32 | 0.02 | 0.00 | 0.00 | |||
○Loop 4351 - detsav.f90:70-71 - exec | 0.04 | 0.02 | 0.01 | 42 | 0.02 | 0.01 | 0.00 | |||
○Loop 4363 - detsav.f90:96-100 - exec | 0.03 | 0.02 | 0.01 | 34 | 0.02 | 0.00 | 0.00 | |||
►Loop 4355 - detsav.f90:46-55 - exec | 0.02 | 0.02 | 0.01 | 33 | 0.01 | 0.00 | 0.00 | |||
○Loop 4357 - detsav.f90:53-54 - exec | 0.14 | 0.06 | 0.04 | 52 | 0.05 | 0.01 | 0.00 | |||
○Loop 4354 - detsav.f90:52-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4356 - detsav.f90:52-54 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4366 - detsav.f90:86-89 - exec | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | 0.00 | |||
○Loop 4353 - detsav.f90:62-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4364 - detsav.f90:91-92 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4359 - detsav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4362 - detsav.f90:96-100 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 4365 - detsav.f90:91-92 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4352 - detsav.f90:62-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4361 - detsav.f90:96-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4360 - detsav.f90:96-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4358 - detsav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4350 - detsav.f90:79-79 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►distance_quad | exec | 0.31 | 0.12 | 0.08 | 52 | 0.08 | 0.02 | Exe (%): 100.00 | 20.50 | Intel(R) Fortran 23.0-1198 |
○Loop 2405 - nonloc.f90:379-386 - exec | 0.3 | 0.12 | 0.08 | 52 | 0.08 | 0.02 | 20.25 | |||
○Loop 2406 - nonloc.f90:392-395 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__default_morecore | libc.so.6 | 0.28 | 0.12 | 0.07 | 52 | 0.08 | 0.02 | System (%): 100.00 | 0.00 | |
►psibnl | exec | 0.26 | 0.11 | 0.07 | 52 | 0.07 | 0.02 | Exe (%): 100.00 | 19.71 | Intel(R) Fortran 23.0-1198 |
○Loop 3587 - nonlpsi.f90:196-198 - exec | 0.06 | 0.04 | 0.01 | 50 | 0.03 | 0.01 | 31.00 | |||
○Loop 3588 - nonlpsi.f90:185-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3589 - nonlpsi.f90:185-187 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3586 - nonlpsi.f90:196-198 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►metrop6 | exec | 0.25 | 0.12 | 0.06 | 52 | 0.08 | 0.02 | Exe (%): 100.00 | 37.83 | Intel(R) Fortran 23.0-1198 |
►Loop 6115 - metrop_mov1_slat.f90:145-785 - exec [...] | 0.2 | 0.1 | 0.05 | 52 | 0.07 | 0.02 | 35.20 | |||
○Loop 6123 - metrop_mov1_slat.f90:349-355 - exec | 0.02 | 0.02 | 0.01 | 41 | 0.02 | 0.00 | 24.00 | |||
○Loop 6113 - metrop_mov1_slat.f90:254-258 - exec | 0.01 | 0.01 | 0 | 37 | 0.01 | 0.00 | 0.00 | |||
○Loop 6118 - metrop_mov1_slat.f90:642-644 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6120 - metrop_mov1_slat.f90:594-595 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6117 - metrop_mov1_slat.f90:647-649 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6122 - metrop_mov1_slat.f90:429-430 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6119 - metrop_mov1_slat.f90:598-599 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6116 - metrop_mov1_slat.f90:647-649 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 6114 - metrop_mov1_slat.f90:318-322 - exec | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 6121 - metrop_mov1_slat.f90:433-434 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6093 - metrop_mov1_slat.f90:145-772 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 6095 - metrop_mov1_slat.f90:770-772 - exec | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 6096 - metrop_mov1_slat.f90:769-772 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 6092 - metrop_mov1_slat.f90:769-772 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 6094 - metrop_mov1_slat.f90:770-772 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 6110 - metrop_mov1_slat.f90:684-686 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6109 - metrop_mov1_slat.f90:703-704 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6104 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6097 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6099 - metrop_mov1_slat.f90:763-766 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6098 - metrop_mov1_slat.f90:145-766 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6105 - metrop_mov1_slat.f90:757-758 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6100 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6102 - metrop_mov1_slat.f90:762-766 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6101 - metrop_mov1_slat.f90:145-766 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6106 - metrop_mov1_slat.f90:757-758 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6108 - metrop_mov1_slat.f90:145-727 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6103 - metrop_mov1_slat.f90:145-767 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 6111 - metrop_mov1_slat.f90:145-676 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6112 - metrop_mov1_slat.f90:673-675 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 6107 - metrop_mov1_slat.f90:145-727 - exec [...] | 0 | 0.01 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
►allocate_periodic | exec | 0.24 | 0.06 | 0.06 | 52 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 385 - m_ewald.f90:213-223 - exec [...] | 0.02 | 0.01 | 0.01 | 37 | 0.01 | 0.00 | 0.00 | |||
○Loop 382 - m_ewald.f90:223-223 - exec | 0.1 | 0.04 | 0.02 | 52 | 0.03 | 0.01 | 0.00 | |||
○Loop 381 - m_ewald.f90:223-223 - exec | 0.1 | 0.04 | 0.02 | 52 | 0.03 | 0.01 | 0.00 | |||
○Loop 387 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 386 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 367 - m_ewald.f90:227-227 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 394 - m_ewald.f90:213-222 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 391 - m_ewald.f90:222-222 - exec | 0.01 | 0.01 | 0 | 27 | 0.00 | 0.00 | 0.00 | |||
○Loop 390 - m_ewald.f90:222-222 - exec | 0.01 | 0.01 | 0 | 25 | 0.00 | 0.00 | 0.00 | |||
○Loop 396 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 395 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 389 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 364 - m_ewald.f90:227-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 363 - m_ewald.f90:229-229 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 366 - m_ewald.f90:225-227 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 365 - m_ewald.f90:228-228 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 397 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 399 - m_ewald.f90:220-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 375 - m_ewald.f90:226-226 - 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 402 - m_ewald.f90:220-220 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 378 - m_ewald.f90:225-225 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 398 - m_ewald.f90:222-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 388 - m_ewald.f90:223-223 - 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 372 - m_ewald.f90:213-226 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 374 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 373 - m_ewald.f90:226-226 - 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 368 - m_ewald.f90:226-226 - 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 383 - m_ewald.f90:223-223 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 400 - m_ewald.f90:221-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 362 - m_ewald.f90:228-229 - exec | 0 | 0 | 0 | 0 | 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 379 - m_ewald.f90:221-224 - 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 376 - m_ewald.f90:226-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 380 - m_ewald.f90:224-224 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 377 - m_ewald.f90:224-225 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 401 - m_ewald.f90:220-238 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►for_check_mult_overflow64 | exec | 0.23 | 0.09 | 0.06 | 52 | 0.07 | 0.02 | Exe (%): 100.00 | 0.00 | |
○Loop 7174 - - exec | 0.12 | 0.07 | 0.03 | 52 | 0.06 | 0.01 | 0.00 | |||
○__libc_malloc | libc.so.6 | 0.21 | 0.12 | 0.05 | 52 | 0.07 | 0.02 | Memory (%): 100.00 | 0.00 | |
►gauss_pot | exec | 0.18 | 0.09 | 0.05 | 52 | 0.06 | 0.02 | Exe (%): 100.00 | 82.40 | Intel(R) Fortran 23.0-1198 |
○Loop 3254 - readps_gauss.f90:72-87 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►deriv_psianl | exec | 0.18 | 0.07 | 0.05 | 52 | 0.06 | 0.02 | Exe (%): 100.00 | 56.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3463 - deriv_nonlpsi.f90:157-171 - exec | 0.04 | 0.03 | 0.01 | 52 | 0.03 | 0.01 | 172.00 | |||
○Loop 3465 - deriv_nonlpsi.f90:153-155 - exec | 0.03 | 0.02 | 0.01 | 40 | 0.02 | 0.00 | 4.00 | |||
○Loop 3461 - deriv_nonlpsi.f90:178-180 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3459 - deriv_nonlpsi.f90:183-191 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3460 - deriv_nonlpsi.f90:142-191 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3462 - deriv_nonlpsi.f90:178-180 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3464 - deriv_nonlpsi.f90:153-155 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○for_allocate_handle | exec | 0.16 | 0.07 | 0.04 | 52 | 0.06 | 0.02 | Exe (%): 100.00 | 0.00 | |
►jastrow_factor4 | exec | 0.16 | 0.08 | 0.04 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 104.25 | Intel(R) Fortran 23.0-1198 |
○Loop 4282 - jastrow4.f90:57-58 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4264 - jastrow4.f90:55-344 - exec [...] | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
►Loop 4265 - jastrow4.f90:55-336 - exec [...] | 0.06 | 0.06 | 0.01 | 51 | 0.04 | 0.01 | 95.00 | |||
○Loop 4267 - jastrow4.f90:55-318 - exec [...] | 0.02 | 0.02 | 0.01 | 48 | 0.02 | 0.01 | 62.00 | |||
○Loop 4266 - jastrow4.f90:314-318 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4263 - jastrow4.f90:352-360 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4262 - jastrow4.f90:355-359 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4283 - jastrow4.f90:57-58 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4268 - jastrow4.f90:55-274 - exec [...] | 0 | 0 | 0 | 2 | 0.01 | 0.00 | 0.00 | |||
►Loop 4269 - jastrow4.f90:55-273 - exec [...] | 0.07 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | 117.50 | |||
○Loop 4280 - jastrow4.f90:128-138 - exec [...] | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | 0.00 | |||
○Loop 4275 - jastrow4.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4279 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4281 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4278 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4276 - jastrow4.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4270 - jastrow4.f90:163-263 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4274 - jastrow4.f90:188-192 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4271 - jastrow4.f90:206-236 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4272 - jastrow4.f90:206-235 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4273 - jastrow4.f90:212-234 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4277 - jastrow4.f90:128-138 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►gammai | exec | 0.15 | 0.07 | 0.04 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 47.25 | Intel(R) Fortran 23.0-1198 |
○Loop 2316 - gammai.f90:74-78 - exec | 0.08 | 0.04 | 0.02 | 52 | 0.03 | 0.01 | 40.00 | |||
○Loop 2317 - gammai.f90:74-78 - exec | 0.05 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | 21.00 | |||
○Loop 2314 - gammai.f90:94-106 - exec | 0.01 | 0.01 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
○Loop 2315 - gammai.f90:94-106 - exec | 0.01 | 0.01 | 0 | 44 | 0.02 | 0.00 | 0.00 | |||
►get_norbterm | exec | 0.13 | 0.04 | 0.03 | 52 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 4668 - get_norbterm.f90:63-222 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4653 - get_norbterm.f90:59-139 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4654 - get_norbterm.f90:137-138 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4666 - get_norbterm.f90:74-83 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4667 - get_norbterm.f90:75-82 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4669 - get_norbterm.f90:63-63 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4645 - get_norbterm.f90:59-208 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4646 - get_norbterm.f90:59-206 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 4647 - get_norbterm.f90:59-195 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 4648 - get_norbterm.f90:59-194 - exec [...] | 0.03 | 0.02 | 0.01 | 46 | 0.02 | 0.00 | 0.00 | |||
○Loop 4652 - get_norbterm.f90:182-186 - exec | 0.06 | 0.03 | 0.02 | 52 | 0.02 | 0.01 | 0.00 | |||
○Loop 4650 - get_norbterm.f90:190-191 - exec | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | 0.00 | |||
○Loop 4651 - get_norbterm.f90:182-186 - exec | 0 | 0 | 0 | 11 | 0.00 | 0.00 | 0.00 | |||
○Loop 4649 - get_norbterm.f90:190-191 - exec | 0 | 0.01 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
►Loop 4659 - get_norbterm.f90:59-128 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4660 - get_norbterm.f90:59-127 - exec [...] | 0.01 | 0.01 | 0 | 16 | 0.00 | 0.00 | 0.00 | |||
○Loop 4661 - get_norbterm.f90:125-126 - exec | 0.01 | 0 | 0 | 15 | 0.00 | 0.00 | 0.00 | |||
►Loop 4656 - get_norbterm.f90:59-128 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4657 - get_norbterm.f90:59-127 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4658 - get_norbterm.f90:125-126 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4662 - get_norbterm.f90:105-117 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4663 - get_norbterm.f90:108-115 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4665 - get_norbterm.f90:109-110 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4664 - get_norbterm.f90:109-110 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4655 - get_norbterm.f90:130-132 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○scale_dist2 | exec | 0.13 | 0.06 | 0.03 | 52 | 0.06 | 0.01 | Exe (%): 100.00 | 69.00 | Intel(R) Fortran 23.0-1198 |
○scale_dist1 | exec | 0.13 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 65.33 | Intel(R) Fortran 23.0-1198 |
►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 4632 - optorb.f90:937-939 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4630 - optorb.f90:880-946 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4631 - optorb.f90:944-945 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4636 - optorb.f90:880-935 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4637 - optorb.f90:880-934 - exec [...] | 0 | 0.01 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 4638 - optorb.f90:932-933 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
►Loop 4621 - optorb.f90:880-1045 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4622 - optorb.f90:880-1043 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 4625 - optorb.f90:880-1006 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 4626 - optorb.f90:880-1005 - exec [...] | 0.03 | 0.02 | 0.01 | 43 | 0.02 | 0.00 | 0.00 | |||
○Loop 4629 - optorb.f90:991-995 - exec | 0.07 | 0.03 | 0.02 | 52 | 0.02 | 0.01 | 0.00 | |||
○Loop 4628 - optorb.f90:999-1000 - exec | 0.02 | 0.01 | 0 | 33 | 0.01 | 0.00 | 0.00 | |||
○Loop 4627 - optorb.f90:999-1000 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
►Loop 4623 - optorb.f90:880-1039 - exec [...] | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 4624 - optorb.f90:1034-1038 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4643 - optorb.f90:881-890 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4644 - optorb.f90:882-889 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4633 - optorb.f90:880-935 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4634 - optorb.f90:880-934 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4635 - optorb.f90:932-933 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4639 - optorb.f90:912-924 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4640 - optorb.f90:915-922 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4642 - optorb.f90:916-917 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4641 - optorb.f90:916-917 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►determinante | exec | 0.11 | 0.06 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 88.67 | Intel(R) Fortran 23.0-1198 |
►Loop 3401 - determinante.f90:38-64 - exec | 0.01 | 0.01 | 0 | 22 | 0.02 | 0.00 | 0.00 | |||
►Loop 3404 - determinante.f90:38-59 - exec [...] | 0.03 | 0.03 | 0.01 | 47 | 0.02 | 0.01 | 97.00 | |||
○Loop 3407 - determinante.f90:52-53 - exec | 0.02 | 0.02 | 0 | 36 | 0.02 | 0.01 | 0.00 | |||
○Loop 3406 - determinante.f90:56-57 - exec | 0.01 | 0.01 | 0 | 28 | 0.01 | 0.00 | 0.00 | |||
○Loop 3405 - determinante.f90:52-53 - exec | 0.01 | 0.01 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
○Loop 3409 - determinante.f90:42-43 - exec | 0.01 | 0.01 | 0 | 17 | 0.01 | 0.00 | 0.00 | |||
○Loop 3408 - determinante.f90:42-43 - exec | 0 | 0.01 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 3402 - determinante.f90:38-62 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3403 - determinante.f90:38-62 - exec [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
○__svml_exp4_l9 | exec | 0.11 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | Math (%): 100.00 | 69.33 | |
○unknown_function | exec | 0.11 | 0.05 | 0.03 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 58.33 | |
○for_deallocate_handle | exec | 0.11 | 0.05 | 0.03 | 52 | 0.04 | 0.01 | Exe (%): 100.00 | 4.00 | |
►jassav | exec | 0.1 | 0.06 | 0.03 | 51 | 0.05 | 0.01 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2293 - jassav.f90:16-57 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2292 - jassav.f90:16-57 - exec [...] | 0.02 | 0.01 | 0 | 30 | 0.01 | 0.00 | 0.00 | |||
○Loop 2295 - jassav.f90:33-39 - exec | 0.02 | 0.03 | 0.01 | 38 | 0.02 | 0.00 | 0.00 | |||
○Loop 2299 - jassav.f90:19-22 - exec | 0.01 | 0.01 | 0 | 18 | 0.01 | 0.00 | 0.00 | |||
○Loop 2300 - jassav.f90:53-56 - exec | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○Loop 2298 - jassav.f90:25-26 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 2296 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2297 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 2294 - jassav.f90:44-45 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2301 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2302 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2304 - jassav.f90:16-57 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2313 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2303 - jassav.f90:16-57 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2310 - jassav.f90:19-22 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2308 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2306 - jassav.f90:33-39 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2311 - jassav.f90:53-56 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2309 - jassav.f90:25-26 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2307 - jassav.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2305 - jassav.f90:44-45 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2312 - jassav.f90:48-49 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►determinante_psit | exec | 0.09 | 0.05 | 0.02 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 314.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3256 - determinante_psit.f90:25-26 - exec | 0.04 | 0.03 | 0.01 | 50 | 0.03 | 0.01 | 288.00 | |||
○Loop 3258 - determinante_psit.f90:29-30 - exec | 0.04 | 0.03 | 0.01 | 51 | 0.03 | 0.01 | 328.00 | |||
○Loop 3257 - determinante_psit.f90:29-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3255 - determinante_psit.f90:25-26 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_avx512_xdcopy | libmkl_avx512.so.2 | 0.09 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | Math (%): 100.00 | 0.00 | |
►bxmatrix | exec | 0.09 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | Exe (%): 100.00 | 1.50 | Intel(R) Fortran 23.0-1198 |
►Loop 3446 - bxmatrices.f90:28-42 - exec [...] | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○Loop 3447 - bxmatrices.f90:40-41 - exec | 0.03 | 0.02 | 0.01 | 44 | 0.02 | 0.00 | 0.00 | |||
○Loop 3445 - bxmatrices.f90:40-41 - exec | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
►Loop 3449 - bxmatrices.f90:28-42 - exec [...] | 0 | 0.01 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 3450 - bxmatrices.f90:40-41 - exec | 0.03 | 0.02 | 0.01 | 42 | 0.02 | 0.00 | 0.00 | |||
○Loop 3448 - bxmatrices.f90:40-41 - exec | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○mkl_dc_dgetri | libmkl_avx512.so.2 | 0.09 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | Math (%): 100.00 | 18.00 | |
►psianl | exec | 0.08 | 0.04 | 0.02 | 52 | 0.04 | 0.01 | Exe (%): 100.00 | 62.50 | Intel(R) Fortran 23.0-1198 |
○Loop 3583 - nonlpsi.f90:143-145 - exec | 0.01 | 0.02 | 0 | 26 | 0.02 | 0.00 | 0.00 | |||
○Loop 3582 - nonlpsi.f90:143-145 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3584 - nonlpsi.f90:132-134 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3585 - nonlpsi.f90:132-134 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►optorb_sum | exec | 0.08 | 0.05 | 0.02 | 52 | 0.05 | 0.01 | Exe (%): 100.00 | 88.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4530 - optorb.f90:157-257 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4536 - optorb.f90:219-221 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4535 - optorb.f90:251-253 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4533 - optorb.f90:157-237 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4534 - optorb.f90:235-236 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4531 - optorb.f90:157-247 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4532 - optorb.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4537 - optorb.f90:157-210 - exec [...] | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 4543 - optorb.f90:171-174 - exec | 0.08 | 0.05 | 0.02 | 52 | 0.05 | 0.01 | 88.00 | |||
►Loop 4540 - optorb.f90:157-190 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4541 - optorb.f90:188-189 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4542 - optorb.f90:204-206 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4538 - optorb.f90:157-200 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4539 - optorb.f90:198-199 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○mkl_lapack_ps_avx512_dgetrf_small | libmkl_avx512.so.2 | 0.08 | 0.05 | 0.02 | 52 | 0.04 | 0.01 | Math (%): 100.00 | 6.00 | |
○__libc_free | libc.so.6 | 0.07 | 0.04 | 0.02 | 51 | 0.03 | 0.01 | Memory (%): 100.00 | 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 1217 - optwf_sr.f90:542-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1213 - optwf_sr.f90:568-569 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1220 - optwf_sr.f90:465-528 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1225 - optwf_sr.f90:519-520 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1223 - optwf_sr.f90:523-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1221 - optwf_sr.f90:523-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1222 - optwf_sr.f90:523-527 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1224 - optwf_sr.f90:519-520 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1212 - optwf_sr.f90:568-569 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1219 - optwf_sr.f90:532-533 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1226 - optwf_sr.f90:465-511 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1230 - optwf_sr.f90:490-510 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1231 - optwf_sr.f90:490-491 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1227 - optwf_sr.f90:495-508 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1228 - optwf_sr.f90:502-507 - exec | 0.06 | 0.02 | 0.02 | 52 | 0.01 | 0.00 | 125.50 | |||
○Loop 1229 - optwf_sr.f90:497-500 - exec | 0.01 | 0.01 | 0 | 39 | 0.01 | 0.00 | 0.00 | |||
►Loop 1210 - optwf_sr.f90:467-578 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1211 - optwf_sr.f90:574-577 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1207 - optwf_sr.f90:465-606 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1206 - optwf_sr.f90:465-617 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1216 - optwf_sr.f90:542-548 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1218 - optwf_sr.f90:532-533 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1237 - optwf_sr.f90:468-470 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1238 - optwf_sr.f90:468-470 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1233 - optwf_sr.f90:484-485 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1205 - optwf_sr.f90:465-595 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1208 - optwf_sr.f90:585-586 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1214 - optwf_sr.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1232 - optwf_sr.f90:484-485 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1209 - optwf_sr.f90:585-586 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1215 - optwf_sr.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 1234 - optwf_sr.f90:465-480 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1235 - optwf_sr.f90:477-478 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 1236 - optwf_sr.f90:477-478 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○for_dealloc_allocatable_handle | exec | 0.06 | 0.04 | 0.01 | 51 | 0.03 | 0.01 | Exe (%): 100.00 | 52.00 | |
►getvps_gauss | exec | 0.06 | 0.04 | 0.02 | 51 | 0.04 | 0.01 | Exe (%): 100.00 | 94.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3252 - readps_gauss.f90:23-49 - exec | 0.05 | 0.04 | 0.01 | 51 | 0.04 | 0.01 | 157.00 | |||
○Loop 3253 - readps_gauss.f90:40-48 - exec | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | 0.00 | |||
►hpsi | exec | 0.06 | 0.04 | 0.01 | 50 | 0.04 | 0.01 | Exe (%): 100.00 | 142.00 | Intel(R) Fortran 23.0-1198 |
○Loop 4310 - hpsi.f90:154-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4302 - hpsi.f90:153-166 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4303 - hpsi.f90:163-165 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4304 - hpsi.f90:161-165 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4311 - hpsi.f90:140-141 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4290 - hpsi.f90:88-223 - exec [...] | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
►Loop 4291 - hpsi.f90:88-202 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 4292 - hpsi.f90:88-201 - exec [...] | 0.02 | 0.02 | 0 | 32 | 0.02 | 0.00 | 0.00 | |||
○Loop 4294 - hpsi.f90:198-200 - exec | 0.03 | 0.03 | 0.01 | 48 | 0.03 | 0.01 | 63.00 | |||
○Loop 4293 - hpsi.f90:198-200 - exec | 0.01 | 0.01 | 0 | 29 | 0.01 | 0.00 | 0.00 | |||
○Loop 4296 - hpsi.f90:185-186 - exec | 0 | 0 | 0 | 3 | 0.01 | 0.00 | 0.00 | |||
○Loop 4295 - hpsi.f90:185-186 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4309 - hpsi.f90:154-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4307 - hpsi.f90:88-159 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4308 - hpsi.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4306 - hpsi.f90:157-158 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4305 - hpsi.f90:154-159 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4312 - hpsi.f90:131-132 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4298 - hpsi.f90:88-166 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4300 - hpsi.f90:88-165 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4301 - hpsi.f90:163-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4299 - hpsi.f90:163-164 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4297 - hpsi.f90:172-173 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○for_alloc_allocatable_handle | exec | 0.06 | 0.06 | 0.02 | 48 | 0.04 | 0.01 | Exe (%): 100.00 | 0.00 | |
○unset_signal_ops | exec | 0.06 | 0.03 | 0.02 | 50 | 0.03 | 0.01 | Exe (%): 100.00 | 0.00 | |
○unknown_kernel_region | kernel | 0.05 | 0.03 | 0.01 | 48 | 0.02 | 0.01 | Math (%): 9.92 System (%): 82.44 MPI (%): 6.87 OMP (%): 0.76 | 4.00 | |
►determinant | exec | 0.05 | 0.03 | 0.01 | 51 | 0.02 | 0.01 | Exe (%): 100.00 | 11.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3364 - determinant.f90:49-117 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 3365 - determinant.f90:107-109 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 3366 - determinant.f90:65-102 - exec | 0 | 0 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○Loop 3369 - determinant.f90:67-78 - exec | 0.02 | 0.01 | 0.01 | 39 | 0.01 | 0.00 | 0.00 | |||
○Loop 3370 - determinant.f90:88-93 - exec | 0.02 | 0.02 | 0.01 | 37 | 0.01 | 0.00 | 11.00 | |||
►Loop 3367 - determinant.f90:98-100 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3368 - determinant.f90:99-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○_mm_malloc | exec | 0.05 | 0.03 | 0.01 | 48 | 0.03 | 0.01 | Memory (%): 100.00 | 0.00 | |
○timer_settime | libc.so.6 | 0.04 | 0.03 | 0.01 | 45 | 0.02 | 0.01 | System (%): 100.00 | 0.00 | |
○MPIDI_POSIX_Bcast_intra_numa_aware | libmpi.so.12.0.0 | 0.04 | 0.03 | 0.01 | 51 | 0.02 | 0.00 | MPI (%): 100.00 | 0.00 | |
►compute_dymat | exec | 0.04 | 0.03 | 0.01 | 49 | 0.03 | 0.01 | Exe (%): 100.00 | 67.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2711 - multideterminant.f90:479-485 - exec | 0.03 | 0.03 | 0.01 | 44 | 0.02 | 0.01 | 14.00 | |||
○Loop 2710 - multideterminant.f90:497-532 - exec | 0.01 | 0.01 | 0 | 40 | 0.01 | 0.00 | 0.00 | |||
○Loop 2713 - multideterminant.f90:472-472 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2712 - multideterminant.f90:472-472 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2694 - multideterminant.f90:472-573 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2701 - multideterminant.f90:472-551 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2702 - multideterminant.f90:472-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2703 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2700 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2704 - multideterminant.f90:472-551 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2708 - multideterminant.f90:472-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2709 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2695 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2706 - multideterminant.f90:472-550 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2707 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2705 - multideterminant.f90:547-549 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2697 - multideterminant.f90:472-569 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 2698 - multideterminant.f90:472-569 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2699 - multideterminant.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2696 - multideterminant.f90:559-560 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○pthread_spin_lock | libc.so.6 | 0.04 | 0.02 | 0.01 | 47 | 0.02 | 0.01 | Pthread (%): 100.00 | 0.00 | |
►optorb_compute | exec | 0.04 | 0.04 | 0.01 | 50 | 0.03 | 0.01 | Exe (%): 100.00 | 96.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4528 - optorb.f90:115-127 - exec | 0 | 0 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
○Loop 4529 - optorb.f90:124-126 - exec | 0.04 | 0.04 | 0.01 | 50 | 0.03 | 0.01 | 96.00 | |||
►compute_determinante_grad | exec | 0.04 | 0.03 | 0.01 | 50 | 0.02 | 0.01 | Exe (%): 100.00 | 47.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3415 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3416 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3413 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3417 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3414 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3412 - determinante.f90:239-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3410 - determinante.f90:120-227 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3411 - determinante.f90:187-188 - exec | 0 | 0.01 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
►Loop 3419 - determinante.f90:120-148 - exec [...] | 0 | 0 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 3425 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3420 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3424 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3423 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3422 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3421 - determinante.f90:143-144 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 3418 - determinante.f90:120-177 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►determinante_ref_grad | exec | 0.03 | 0.02 | 0.01 | 42 | 0.02 | 0.01 | Exe (%): 100.00 | 39.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3427 - determinante.f90:319-322 - exec | 0.02 | 0.01 | 0 | 32 | 0.01 | 0.00 | 0.00 | |||
○Loop 3426 - determinante.f90:319-322 - exec | 0 | 0 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
►atimes_n | exec | 0.03 | 0.02 | 0.01 | 37 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 5331 - optwf_sr_more.f90:253-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5336 - optwf_sr_more.f90:238-240 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5339 - optwf_sr_more.f90:219-222 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5352 - optwf_sr_more.f90:273-274 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5334 - optwf_sr_more.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5338 - optwf_sr_more.f90:224-226 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5345 - optwf_sr_more.f90:172-173 - exec | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
○Loop 5350 - optwf_sr_more.f90:285-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 5340 - optwf_sr_more.f90:163-211 - exec [...] | 0 | 0 | 0 | 2 | 0.00 | 0.00 | 0.00 | |||
○Loop 5344 - optwf_sr_more.f90:180-182 - exec | 0.02 | 0.02 | 0.01 | 36 | 0.02 | 0.00 | 0.00 | |||
○Loop 5341 - optwf_sr_more.f90:207-208 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5343 - optwf_sr_more.f90:207-208 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5342 - optwf_sr_more.f90:207-208 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5335 - optwf_sr_more.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5329 - optwf_sr_more.f90:253-254 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5349 - optwf_sr_more.f90:285-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5333 - optwf_sr_more.f90:249-250 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5328 - optwf_sr_more.f90:163-262 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5348 - optwf_sr_more.f90:285-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5337 - optwf_sr_more.f90:163-233 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5351 - optwf_sr_more.f90:277-278 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5347 - optwf_sr_more.f90:166-167 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5330 - optwf_sr_more.f90:257-258 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5332 - optwf_sr_more.f90:245-246 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5346 - optwf_sr_more.f90:166-167 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○getutmp | libc.so.6 | 0.03 | 0.01 | 0.01 | 49 | 0.01 | 0.00 | IO (%): 100.00 | 0.00 | |
○I_MPI_memcpy_nontemporal_avx2 | libmpi.so.12.0.0 | 0.03 | 0.01 | 0.01 | 49 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○exp | libimf.so | 0.03 | 0.02 | 0.01 | 49 | 0.03 | 0.01 | Math (%): 100.00 | 96.00 | |
○MPID_Progress_idle_timer_tick | libmpi.so.12.0.0 | 0.03 | 0.03 | 0.01 | 39 | 0.02 | 0.01 | MPI (%): 100.00 | 0.00 | |
►optjas_sum | exec | 0.02 | 0.02 | 0 | 33 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4425 - optjas.f90:221-368 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4432 - optjas.f90:302-316 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4433 - optjas.f90:309-315 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4426 - optjas.f90:344-366 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4427 - optjas.f90:347-365 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4428 - optjas.f90:351-363 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4434 - optjas.f90:307-316 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4435 - optjas.f90:307-316 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4429 - optjas.f90:319-340 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4430 - optjas.f90:321-339 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4431 - optjas.f90:325-337 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4436 - optjas.f90:221-292 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 4446 - optjas.f90:232-240 - exec [...] | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 4445 - optjas.f90:232-240 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4437 - optjas.f90:268-290 - exec | 0 | 0.01 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 4438 - optjas.f90:271-289 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 4439 - optjas.f90:275-287 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4443 - optjas.f90:227-240 - exec | 0 | 0.01 | 0 | 12 | 0.01 | 0.00 | 0.00 | |||
○Loop 4444 - optjas.f90:234-239 - exec | 0.01 | 0.01 | 0 | 18 | 0.01 | 0.00 | 0.00 | |||
►Loop 4440 - optjas.f90:243-264 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 4441 - optjas.f90:245-263 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4442 - optjas.f90:249-261 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○MPIR_Progress_hook_exec_on_vci | libmpi.so.12.0.0 | 0.02 | 0.02 | 0 | 32 | 0.02 | 0.00 | MPI (%): 100.00 | 0.00 | |
►allocate_tempor_test | exec | 0.02 | 0.01 | 0 | 50 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 415 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 406 - m_ewald.f90:343-343 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 404 - m_ewald.f90:344-344 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 411 - m_ewald.f90:340-342 - exec | 0 | 0 | 0 | 4 | 0.00 | 0.00 | 0.00 | |||
○Loop 408 - m_ewald.f90:342-342 - exec | 0.01 | 0.01 | 0 | 29 | 0.00 | 0.00 | 0.00 | |||
○Loop 407 - m_ewald.f90:342-342 - exec | 0.01 | 0.01 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
○Loop 412 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 413 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 403 - m_ewald.f90:343-344 - 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 | |||
○Loop 410 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 405 - m_ewald.f90:343-347 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 414 - m_ewald.f90:342-342 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►jastrowe | exec | 0.02 | 0.01 | 0 | 35 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2875 - jastrowe.f90:42-51 - exec | 0.01 | 0.01 | 0 | 22 | 0.01 | 0.00 | 0.00 | |||
○Loop 2876 - jastrowe.f90:45-48 - exec | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | 0.00 | |||
►Loop 2877 - jastrowe.f90:27-36 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2878 - jastrowe.f90:30-33 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○rxm_ep_do_progress | librxm-fi.so | 0.02 | 0.02 | 0 | 32 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○_dl_rtld_di_serinfo | ld-linux-x86-64.so.2 | 0.02 | 0.01 | 0 | 35 | 0.01 | 0.00 | System (%): 91.30 MPI (%): 8.70 | 0.00 | |
►nonlocd_quad | exec | 0.02 | 0.02 | 0.01 | 40 | 0.02 | 0.01 | Exe (%): 100.00 | 52.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2429 - nonloc.f90:881-903 - exec [...] | 0.01 | 0.01 | 0 | 28 | 0.01 | 0.00 | 0.00 | |||
○Loop 2432 - nonloc.f90:898-899 - exec | 0 | 0 | 0 | 7 | 0.01 | 0.00 | 0.00 | |||
○Loop 2430 - nonloc.f90:889-890 - exec | 0 | 0.01 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 2433 - nonloc.f90:898-899 - exec | 0 | 0.01 | 0 | 12 | 0.02 | 0.00 | 0.00 | |||
○Loop 2431 - nonloc.f90:889-890 - exec | 0 | 0.01 | 0 | 15 | 0.01 | 0.00 | 0.00 | |||
○mkl_blas_ddot | libmkl_intel_thread.so.2 | 0.02 | 0.02 | 0.01 | 35 | 0.02 | 0.00 | Math (%): 100.00 | 1.00 | |
○inflate_fast | libmpi.so.12.0.0 | 0.02 | 0.01 | 0.01 | 52 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
►for_cpstr | exec | 0.02 | 0.02 | 0 | 35 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
○Loop 7328 - - exec | 0.01 | 0.01 | 0 | 17 | 0.00 | 0.00 | 0.00 | |||
○Loop 7329 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○next_uniform_double | exec | 0.02 | 0.01 | 0 | 41 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | |
►optci_deloc | exec | 0.02 | 0.02 | 0 | 36 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 4676 - optci.f90:40-102 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4680 - optci.f90:40-100 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4681 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4678 - optci.f90:40-100 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4679 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4677 - optci.f90:98-99 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4682 - optci.f90:40-84 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 4687 - optci.f90:56-58 - exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 4686 - optci.f90:65-68 - exec | 0.01 | 0.01 | 0 | 20 | 0.01 | 0.00 | 0.00 | |||
►Loop 4683 - optci.f90:40-81 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4685 - optci.f90:74-77 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4684 - optci.f90:74-77 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4670 - optci.f90:40-102 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4672 - optci.f90:40-94 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4671 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4673 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4674 - optci.f90:40-94 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4675 - optci.f90:92-93 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►distancese_restore | exec | 0.02 | 0.02 | 0.01 | 35 | 0.02 | 0.00 | Exe (%): 100.00 | 1.00 | Intel(R) Fortran 23.0-1198 |
○Loop 4068 - distances.f90:275-290 - exec [...] | 0.01 | 0.02 | 0 | 27 | 0.01 | 0.00 | 0.00 | |||
○Loop 4069 - distances.f90:266-270 - exec | 0 | 0 | 0 | 12 | 0.00 | 0.00 | 0.00 | |||
○ofi_cq_readfrom | libtcp-fi.so | 0.02 | 0.02 | 0 | 29 | 0.02 | 0.00 | Others (%): 100.00 | 0.00 | |
►determinant_psit | exec | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 3363 - determinant_psit.f90:20-21 - exec | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | 0.00 | |||
○Loop 3362 - determinant_psit.f90:20-21 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►for_write_seq_fmt_xmit | exec | 0.01 | 0.01 | 0 | 12 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
►Loop 7230 - - exec | 0 | 0.01 | 0 | 6 | 0.00 | 0.00 | 0.00 | |||
►Loop 7229 - - exec | 0 | 0.01 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 7234 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7233 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7232 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7235 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7231 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7236 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 7237 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○__libm_cos_l9 | libimf.so | 0.01 | 0.02 | 0 | 31 | 0.02 | 0.00 | Math (%): 100.00 | 0.00 | |
○MPIDI_OFI_get_buffered | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○impi_shm_heap_progress | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 26 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 | |
○_mm_free | exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | Memory (%): 100.00 | 0.00 | |
○epoll_wait | libc.so.6 | 0.01 | 0.02 | 0 | 23 | 0.01 | 0.00 | IO (%): 100.00 | 0.00 | |
►psie | exec | 0.01 | 0.02 | 0 | 26 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2545 - hpsie.f90:70-71 - exec | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
►Loop 2547 - hpsie.f90:45-61 - exec [...] | 0 | 0 | 0 | 1 | 0.00 | 0.00 | 0.00 | |||
○Loop 2548 - hpsie.f90:57-61 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2546 - hpsie.f90:57-61 - exec | 0 | 0.01 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
○ofi_eq_read | libtcp-fi.so | 0.01 | 0.01 | 0 | 12 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○unknown_function | libc.so.6 | 0.01 | 0.01 | 0 | 28 | 0.01 | 0.00 | System (%): 100.00 | 0.00 | |
○ofi_cq_readfrom | librxm-fi.so | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
►optwf_store | exec | 0.01 | 0.02 | 0 | 11 | 0.02 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 5320 - optwf_handle_wf.f90:1610-1628 - exec | 0 | 0.01 | 0 | 5 | 0.01 | 0.00 | 0.00 | |||
○Loop 5318 - optwf_handle_wf.f90:1651-1652 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 5319 - optwf_handle_wf.f90:1636-1642 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○pthread_spin_init | libc.so.6 | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | Pthread (%): 100.00 | 0.00 | |
►pot_local | exec | 0.01 | 0.01 | 0 | 21 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 2213 - pot_local.f90:23-39 - exec [...] | 0 | 0 | 0 | 11 | 0.01 | 0.00 | 0.00 | |||
○Loop 2212 - pot_local.f90:37-38 - exec | 0 | 0 | 0 | 8 | 0.01 | 0.00 | 0.00 | |||
○Loop 2214 - pot_local.f90:37-38 - exec | 0 | 0 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
►Loop 2215 - pot_local.f90:23-30 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2217 - pot_local.f90:28-29 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 2216 - pot_local.f90:28-29 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○ofi_cq_read | librxm-fi.so | 0.01 | 0.01 | 0 | 15 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○tcpx_conn_mgr_run | libtcp-fi.so | 0.01 | 0.01 | 0 | 23 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○MPIDU_Init_shm_barrier | 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 | 20 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
►Loop 3090 - matinv.f90:69-82 - exec | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
○Loop 3092 - matinv.f90:73-75 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○Loop 3091 - matinv.f90:78-80 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○DDOT | libmkl_intel_lp64.so.2 | 0.01 | 0.01 | 0 | 27 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
►update_ymat | exec | 0.01 | 0.01 | 0 | 14 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2728 - multideterminant.f90:680-682 - exec | 0 | 0 | 0 | 3 | 0.00 | 0.00 | 0.00 | |||
○mkl_blas_dcopy | libmkl_intel_thread.so.2 | 0.01 | 0.03 | 0 | 23 | 0.02 | 0.00 | Math (%): 100.00 | 0.00 | |
○DDOT | libmkl_rt.so.2 | 0.01 | 0.02 | 0 | 11 | 0.02 | 0.01 | Math (%): 100.00 | 0.00 | |
○__svml_exp4_mask_e9 | exec | 0.01 | 0.01 | 0 | 25 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○mkl_blas_ddot | libmkl_core.so.2 | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○I_MPI_memcpy_avx2 | libmpi.so.12.0.0 | 0.01 | 0.03 | 0 | 25 | 0.02 | 0.00 | MPI (%): 100.00 | 0.00 | |
○mkl_blas_dcopy | libmkl_core.so.2 | 0.01 | 0.01 | 0 | 12 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○mkl_blas_xdcopy | libmkl_core.so.2 | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○MPIDI_SHMI_progress | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 15 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►optorb_cum | exec | 0.01 | 0.01 | 0 | 21 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 4544 - optorb.f90:323-323 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
►Loop 4545 - optorb.f90:279-315 - exec [...] | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4546 - optorb.f90:304-306 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4548 - optorb.f90:279-299 - exec [...] | 0 | 0 | 0 | 6 | 0.01 | 0.00 | 0.00 | |||
○Loop 4547 - optorb.f90:304-306 - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○Loop 4549 - optorb.f90:288-311 - exec [...] | 0 | 0.01 | 0 | 14 | 0.01 | 0.00 | 0.00 | |||
►for_index | exec | 0.01 | 0.01 | 0 | 32 | 0.01 | 0.00 | Exe (%): 100.00 | 0.00 | |
►Loop 7424 - - exec | 0.01 | 0.01 | 0 | 24 | 0.01 | 0.00 | 0.00 | |||
○Loop 7425 - - exec | 0 | 0 | 0 | 0 | 0.00 | 0.00 | 0.00 | |||
○adler32 | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 31 | 0.00 | 0.00 | MPI (%): 100.00 | 0.00 | |
►idiff | exec | 0.01 | 0.01 | 0 | 30 | 0.00 | 0.00 | Exe (%): 100.00 | 0.00 | Intel(R) Fortran 23.0-1198 |
○Loop 2729 - multideterminant.f90:704-706 - exec | 0 | 0.01 | 0 | 5 | 0.00 | 0.00 | 0.00 | |||
○__svml_exp4 | exec | 0.01 | 0.01 | 0 | 19 | 0.01 | 0.00 | Math (%): 100.00 | 0.00 | |
○noinline_progress | libmpi.so.12.0.0 | 0.01 | 0.02 | 0 | 19 | 0.02 | 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 | |
○ofi_cq_read | libtcp-fi.so | 0.01 | 0.01 | 0 | 13 | 0.01 | 0.00 | Others (%): 100.00 | 0.00 | |
○MPID_Progress_test_impl | libmpi.so.12.0.0 | 0.01 | 0.01 | 0 | 16 | 0.01 | 0.00 | MPI (%): 100.00 | 0.00 |