OV - exec - Loops

Loop id	Source Location	Source Function	Level	Coverage run_0 (%)	Max Time Over Threads run_0 (s)	Time w.r.t. Wall Time run_0 (s)	Nb Threads run_0	GFLOPS run_0	Vectorization Ratio (%)	Vector Length Use (%)	Speedup If No Scalar Integer	Speedup If FP Vectorized	Speedup If Fully Vectorized	Speedup If Perfect Load Balancing run_0	Stride 0	Stride 1	Stride n	Stride Unknown	Stride Indirect	Speedup If Data in L1 run_0
3357	exec - basis_fns.f90:109-130 [...]	basis_fns	Innermost	8.97	1.82	1.82	1	0.42	7.14	12.95	7	1	15.15	1	1	0	0	10	0	NA
3140	exec - orbitals.f90:94-578 [...]	orbitals	Innermost	8.94	1.81	1.81	1	15.57	100	50	1	1.33	2	1	0	6	0	0	0	NA
2424	exec - nonloc.f90:795-796	orbitals_quad	Innermost	4.31	0.87	0.87	1	12.94	100	50	1.37	1.44	2	1	0	2	1	0	0	NA
4419	exec - optjas.f90:44-120 [...]	optjas_deloc	InBetween	3.84	0.78	0.78	1	2.95	90.2	41.5	1.04	1.47	2.99	1	NA	NA	NA	NA	NA	NA
3224	exec - orbitals.f90:807-1190 [...]	orbitalse	Innermost	3.79	0.77	0.77	1	15.32	100	50	1	1.45	2	1	0	5	0	0	0	NA
7948	exec -	__powidf2	Innermost	3.1	0.63	0.63	1	0.25	0	12.5	1	8	8	1	0	0	0	0	0	NA
2671	exec - multideterminant.f90:100-159 [...]	multideterminant_hpsi	InBetween	3.01	0.61	0.61	1	2.82	89.32	40.86	1.05	1.55	3.15	1	NA	NA	NA	NA	NA	NA
7947	exec -	__powidf2	Outermost	1.82	0.37	0.37	1	0.19	0	6.25	1	1	16	1	0	0	0	0	0	NA
2616	exec - multideterminante.f90:259-260	multideterminante_grad	Innermost	1.55	0.31	0.31	1	2.68	80	40	1.11	1.18	2.61	1	0	1	0	0	1	NA
3358	exec - basis_fns.f90:102-103	basis_fns	Innermost	1.5	0.3	0.3	1	0.27	16.67	13.54	1	1	14.61	1	0	0	0	1	0	NA
3359	exec - basis_fns.f90:93-98	basis_fns	Innermost	1.18	0.24	0.24	1	1.04	21.21	15.63	2.36	1	11.01	1	1	0	0	2.5	0	NA
4523	exec - optorb.f90:39-87 [...]	optorb_deriv	InBetween	1.16	0.24	0.24	1	1.50	43.14	20.34	2.79	3.1	9.56	1	NA	NA	NA	NA	NA	NA
3138	exec - orbitals.f90:94-579 [...]	orbitals	InBetween	1.16	0.24	0.23	1	13.22	25.08	15.49	1.75	1.93	9.09	1	1	1	2.75	5.25	0	NA
4527	exec - optorb.f90:71-73	optorb_deriv	Innermost	0.96	0.2	0.2	1	0.75	88.89	43.06	1.11	1.15	2.45	1	0	1	0	0	3	NA
2687	exec - multideterminant.f90:354-357	compute_ymat	Innermost	0.96	0.2	0.2	1	1.20	100	43.27	1.11	1.11	2.27	1	0	1	1	0	14	NA
2623	exec - multideterminante.f90:220-249 [...]	multideterminante_grad	InBetween	0.84	0.17	0.17	1	7.47	52.91	24.02	1.59	2.06	7.09	1	NA	NA	NA	NA	NA	NA
2614	exec - multideterminante.f90:220-261 [...]	multideterminante_grad	InBetween	0.67	0.14	0.14	1	1.50	14.65	13.49	1	1.42	10.13	1	1.5	0	0	1.5	0	NA
4418	exec - optjas.f90:88-120 [...]	optjas_deloc	Innermost	0.64	0.13	0.13	1	2.23	88.64	42.9	1.07	1.2	2.48	1	0	5	0	0	5	NA
4320	exec - jastrow4e.f90:55-296 [...]	jastrow4e	Outermost	0.59	0.12	0.12	1	1.08	16.75	14.69	2.43	2.6	10.75	1	NA	NA	NA	NA	NA	NA
4526	exec - optorb.f90:71-73	optorb_deriv	Innermost	0.57	0.12	0.11	1	1.27	0	12.5	1	2.58	8	1	0	1	0	3	0	NA
2345	exec - deriv_nonloc.f90:324-449 [...]	deriv_nonlocj_quad4	InBetween	0.57	0.12	0.12	1	0.33	15.52	12.82	2.73	2.51	11.79	1	NA	NA	NA	NA	NA	NA
2615	exec - multideterminante.f90:259-260	multideterminante_grad	Innermost	0.52	0.1	0.1	1	0.00	0	12.5	1	2.91	8	1	0	1	0	1	0	NA
2605	exec - multideterminante.f90:61-63	multideterminante	Innermost	0.52	0.11	0.11	1	3.36	100	50	1	1	2	1	0	4	4	0	0	NA
3222	exec - orbitals.f90:807-1191 [...]	orbitalse	Outermost	0.49	0.1	0.1	1	12.70	26.37	15.63	1.66	2.11	9.15	1	1	0	0	7.5	0	NA
2670	exec - multideterminant.f90:107-113	multideterminant_hpsi	Innermost	0.47	0.1	0.1	1	2.40	98.08	46.88	1.07	1.22	2.34	1	0	4	0	0	3	NA
6115	exec - metrop_mov1_slat.f90:145-785 [...]	metrop6	Outermost	0.44	0.09	0.09	1	0.56	14.45	13.34	2.75	2.17	5.5	1	NA	NA	NA	NA	NA	NA
3350	exec - basis_fns.f90:62-228 [...]	basis_fns	Outermost	0.39	0.08	0.08	1	0.00	8.21	11.99	6.07	1	9.48	1	NA	NA	NA	NA	NA	NA
2725	exec - multideterminant.f90:626-629	compute_zmat	Innermost	0.34	0.07	0.07	1	2.29	92.31	44.23	1.07	1.14	2.32	1	0	1	0	0	3	NA
2572	exec - multideterminante.f90:166-169	multideterminante	Innermost	0.34	0.07	0.07	1	0.71	0	12.5	1	1.78	8	1	0	2	0	4	1	NA
2626	exec - multideterminante.f90:243-244	multideterminante_grad	Innermost	0.34	0.07	0.07	1	2.86	100	46.15	1.17	1.17	2.44	1	0	3	2	0	2	NA
2686	exec - multideterminant.f90:353-357	compute_ymat	Innermost	0.32	0.06	0.06	1	0.67	0	12.5	1.25	1.52	8	1	0	1	1	4	0	NA
4522	exec - optorb.f90:39-94 [...]	optorb_deriv	Outermost	0.3	0.06	0.06	1	3.50	15.38	14.18	2.95	1.34	10.73	1	NA	NA	NA	NA	NA	NA
4525	exec - optorb.f90:82-84	optorb_deriv	Innermost	0.3	0.06	0.06	1	0.17	89.29	43.3	1.08	1.12	2.33	1	0	1	0	0	2	NA
2405	exec - nonloc.f90:379-386	distance_quad	Single	0.3	0.06	0.06	1	0.67	23.08	15.38	1	1.5	2	1	0	0	0	3	0	NA
3356	exec - basis_fns.f90:71-131 [...]	basis_fns	InBetween	0.27	0.06	0.06	1	0.00	0	11.46	2.46	1.48	7.38	1	NA	NA	NA	NA	NA	NA
7852	exec -	__intel_avx_rep_memcpy	Single	0.27	0.06	0.06	1	0.00	100	50	1	1	2	1	0	2	0	0	0	NA
2443	exec - nonloc.f90:1192-1195	nonlocj_quad4	Innermost	0.27	0.05	0.05	1	0.00	0	11.98	2.88	1.84	11.15	1	1	0	0	2	0	NA
3137	exec - orbitals.f90:580-580	orbitals	Innermost	0.25	0.05	0.05	1	0.00	80	42.5	1.03	1	2.95	1	0	1	0	0	1	NA
2349	exec - deriv_nonloc.f90:398-403	deriv_nonlocj_quad4	Innermost	0.25	0.05	0.05	1	0.00	9.09	13.03	1.81	1.88	11.38	1	1.5	1	0	4	0	NA
2719	exec - multideterminant.f90:610-642 [...]	compute_zmat	InBetween	0.22	0.04	0.04	1	3.00	77.56	39.12	1.46	1.37	3.72	1	NA	NA	NA	NA	NA	NA
2622	exec - multideterminante.f90:243-244	multideterminante_grad	Innermost	0.22	0.04	0.04	1	2.25	100	41.67	1.08	1.08	2.36	1	0	2	0	0	2	NA
2495	exec - deriv_jastrow4.f90:76-488 [...]	deriv_jastrow4	Outermost	0.22	0.04	0.04	1	1.25	7.59	12.87	2.89	1.43	9.16	1	NA	NA	NA	NA	NA	NA
4314	exec - jastrow4e.f90:55-356 [...]	jastrow4e	Outermost	0.22	0.04	0.04	1	0.50	18.42	15.5	2.5	2.26	7.29	1	NA	NA	NA	NA	NA	NA
2422	exec - nonloc.f90:460-797 [...]	orbitals_quad	InBetween	0.2	0.04	0.04	1	5.25	28.81	16.01	1.69	1.23	7.02	1	1	0	0	6.25	0	NA
2625	exec - multideterminante.f90:243-244	multideterminante_grad	Innermost	0.2	0.04	0.04	1	3.75	0	12.5	1	1.1	8	1	0	9	0	0	1	NA
2669	exec - multideterminant.f90:100-159 [...]	multideterminant_hpsi	InBetween	0.2	0.04	0.04	1	5.00	40.72	19.77	2.38	2.36	8.49	1	3	0	0	12.33	0.67	NA
2442	exec - nonloc.f90:1092-1199 [...]	nonlocj_quad4	InBetween	0.2	0.04	0.04	1	0.25	13.43	12.59	3.28	2.17	7.7	1	NA	NA	NA	NA	NA	NA
2624	exec - multideterminante.f90:247-248	multideterminante_grad	Innermost	0.2	0.04	0.04	1	4.75	100	50	1	1	2	1	0	2	1	0	0	NA
4387	exec - optjas.f90:128-131	optjas_deloc	Innermost	0.2	0.04	0.04	1	0.00	100	42.5	1.06	1	2.73	1	0	2	0	0	1	NA
4414	exec - optjas.f90:88-90	optjas_deloc	Innermost	0.2	0.04	0.04	1	1.00	90.91	44.32	1.06	1.11	2.27	1	0	2	0	0	2	NA
2594	exec - multideterminante.f90:61-63	multideterminante	Innermost	0.2	0.04	0.04	1	4.00	0	12.5	1	2	8	1	0	8	0	0	0	NA
7853	exec -	__intel_avx_rep_memset	Single	0.17	0.03	0.03	1	0.00	100	50	1	1	2	1	0	1	0	0	0	NA
2591	exec - multideterminante.f90:72-77	multideterminante	Innermost	0.17	0.03	0.03	1	0.00	94.74	41.89	1.07	1.1	1.48	1	0	2	0	1	5	NA
4417	exec - optjas.f90:44-120 [...]	optjas_deloc	InBetween	0.17	0.03	0.03	1	2.00	38.8	17.35	2.06	1.95	6.85	1	3	0	0	9.67	0	NA
2604	exec - multideterminante.f90:37-63 [...]	multideterminante	InBetween	0.15	0.03	0.03	1	11.33	19.47	14.93	1.82	1	7.58	1	1	0	0	14.67	0	NA
7174	exec -	for_check_mult_overflow64	Single	0.15	0.03	0.03	1	0.00	0	10.72	1	1	11.89	1	1	0	0	1	0	NA
2371	exec - nonloc.f90:273-275	nonloc	Innermost	0.15	0.03	0.03	1	2.67	100	50	1.09	1.09	2	1	0	2	2	0	0	NA
2508	exec - deriv_jastrow4.f90:194-258	deriv_jastrow4	Innermost	0.15	0.03	0.03	1	1.67	3.31	12.5	1.29	1.44	3.66	1	NA	NA	NA	NA	NA	NA
4357	exec - detsav.f90:53-54	detsav	Innermost	0.15	0.03	0.03	1	0.00	0	12.5	1	1	8	1	0	0	0	6	0	NA
381	exec - m_ewald.f90:223-223	allocate_periodic	Innermost	0.15	0.03	0.03	1	0.00	0	6.25	1	1	16	1	0	1	0	0	0	NA
3473	exec - deriv_nonlpsi.f90:237-239	deriv_psibnl	Single	0.15	0.03	0.03	1	0.33	0	12.5	1	1.62	8	1	1	1	0	1	0	NA
2724	exec - multideterminant.f90:610-630 [...]	compute_zmat	InBetween	0.15	0.03	0.03	1	6.67	39.71	17.46	2.69	1.84	7.33	1	2.33	1.33	0	4.67	0	NA
4415	exec - optjas.f90:44-120 [...]	optjas_deloc	InBetween	0.12	0.02	0.02	1	1.50	1.3	12.5	5.91	1	8	1	NA	NA	NA	NA	NA	NA
2603	exec - multideterminante.f90:61-63	multideterminante	Innermost	0.12	0.02	0.02	1	1.50	100	50	1	1	2	1	0	5	0	0	0	NA
4626	exec - optorb.f90:880-1005 [...]	optorb_define	InBetween	0.12	0.02	0.02	1	0.00	0	10.71	1	1	13.4	1	NA	NA	NA	NA	NA	NA
2682	exec - multideterminant.f90:376-380	compute_ymat	Single	0.12	0.02	0.02	1	1.00	0	12.5	1.62	2.13	8	1	1	1	0	11	0	NA
4524	exec - optorb.f90:82-84	optorb_deriv	Innermost	0.12	0.02	0.02	1	0.00	0	12.5	1	2	8	1	0	1	0	3	0	NA
2601	exec - multideterminante.f90:61-63	multideterminante	Innermost	0.12	0.02	0.02	1	6.50	0	12.5	1	1	8	1	0	5	0	0	0	NA
2680	exec - multideterminant.f90:406-420	compute_ymat	Single	0.12	0.02	0.02	1	0.50	0	12.5	1.65	1.97	8	1	1	5	0	5	0	NA
2618	exec - multideterminante.f90:220-249 [...]	multideterminante_grad	InBetween	0.12	0.02	0.02	1	6.50	34.78	17.12	2.59	2.87	10.73	1	NA	NA	NA	NA	NA	NA
2589	exec - multideterminante.f90:113-134	multideterminante	Innermost	0.12	0.02	0.02	1	0.00	99.26	43.8	1.08	1.23	2.68	1	0	1	3	1	8	NA
3139	exec - orbitals.f90:94-578 [...]	orbitals	Innermost	0.12	0.02	0.02	1	18.00	0	12.5	1	1.33	8	1	0	6	0	0	0	NA
2351	exec - deriv_nonloc.f90:390-391	deriv_nonlocj_quad4	Innermost	0.12	0.02	0.02	1	1.00	85.71	42.86	1.1	1.17	2.56	1	0	1	0	0	1	NA
2588	exec - multideterminante.f90:113-134	multideterminante	Innermost	0.12	0.02	0.02	1	0.00	11.11	13.89	1.52	1.9	4.75	1	1	3	0	3	2	NA
2567	exec - multideterminante.f90:37-184 [...]	multideterminante	Outermost	0.1	0.02	0.02	1	0.00	10.45	14.35	4.97	1	12.72	1	NA	NA	NA	NA	NA	NA
4050	exec - distances.f90:96-105	distances	Innermost	0.1	0.02	0.02	1	0.50	23.08	15.38	1	1.5	2	1	0	2	0	1	0	NA
3397	exec - determinant.f90:276-279	compute_bmatrices_kin	Innermost	0.1	0.02	0.02	1	10.00	100	50	1	1.47	2	1	0	4	0	0	0	NA
2602	exec - multideterminante.f90:37-63 [...]	multideterminante	InBetween	0.1	0.02	0.02	1	13.00	0	12.2	3.02	1	10.03	1	1	0	0	7.67	0	NA
2600	exec - multideterminante.f90:37-64 [...]	multideterminante	InBetween	0.1	0.02	0.02	1	10.50	0	12.34	1	1	11	1	NA	NA	NA	NA	NA	NA
3396	exec - determinant.f90:257-280 [...]	compute_bmatrices_kin	InBetween	0.1	0.02	0.02	1	2.00	18.2	19.16	2.82	1.32	8.08	1	0.75	0	0	4.25	0	NA
2491	exec - deriv_jastrow4.f90:76-609 [...]	deriv_jastrow4	InBetween	0.1	0.02	0.02	1	0.50	2.78	12.44	2.04	2.47	8.63	1	NA	NA	NA	NA	NA	NA
382	exec - m_ewald.f90:223-223	allocate_periodic	Innermost	0.1	0.02	0.02	1	0.00	0	6.25	1	1	16	1	0	1	0	0	0	NA
4391	exec - optjas.f90:44-122 [...]	optjas_deloc	InBetween	0.1	0.02	0.02	1	0.00	18.22	15.35	1.16	1.67	8.79	1	3	0.67	0	3.67	0	NA
2316	exec - gammai.f90:74-78	gammai	Single	0.1	0.02	0.02	1	1.00	0	12.5	1	8	8	1	0	0	0	0	0	NA
2375	exec - nonloc.f90:258-259	nonloc	Innermost	0.1	0.02	0.02	1	4.00	100	50	1	1.41	2	1	0	2	0	0	0	NA
3404	exec - determinante.f90:38-59 [...]	determinante	InBetween	0.1	0.02	0.02	1	0.00	45.71	24.29	3.08	2.59	7.89	1	NA	NA	NA	NA	NA	NA
4390	exec - optjas.f90:119-121	optjas_deloc	Innermost	0.1	0.02	0.02	1	1.50	0	12.5	1	3.76	8	1	0	1	0	2	0	NA
2363	exec - nonloc.f90:77-320 [...]	nonloc	InBetween	0.1	0.02	0.02	1	0.00	45.76	28.54	2.45	2.28	7.62	1	NA	NA	NA	NA	NA	NA
4080	exec - multiply_slmi_mderiv.f90:18-34 [...]	multiply_slmi_mderiv_simple	InBetween	0.07	0.01	0.01	1	2.00	0	12.5	4.11	1	8	1	1	0.5	0.5	5.5	1	NA
4082	exec - multiply_slmi_mderiv.f90:33-34	multiply_slmi_mderiv_simple	Innermost	0.07	0.01	0.01	1	3.00	0	12.5	1	1.54	8	1	0	1	0	8	0	NA
4294	exec - hpsi.f90:198-200	hpsi	Innermost	0.07	0.01	0.01	1	7.00	83.33	41.67	1.1	1.19	2.6	1	0	2	0	0	1	NA
2607	exec - multideterminante.f90:37-65 [...]	multideterminante	InBetween	0.07	0.01	0.01	1	0.00	0	10.97	1	1	13.03	1	0	0	0	1	0	NA
1228	exec - optwf_sr.f90:502-507	sr_hs	Innermost	0.07	0.01	0.01	1	6.00	0	12.5	1.14	1.33	8	1	0	4	0	0	0	NA
4065	exec - distances.f90:51-58	distances	Single	0.07	0.01	0.01	1	0.00	33.33	16.67	1.92	1	7.38	1	1	2	2	1	0	NA
4396	exec - optjas.f90:105-109	optjas_deloc	Innermost	0.07	0.01	0.01	1	0.00	97.32	42.75	1.07	1.14	2.53	1	2	2	0	1	7	NA
3587	exec - nonlpsi.f90:196-198	psibnl	Single	0.07	0.01	0.01	1	0.00	0	12.5	1	4.71	8	1	0	1	0	0	0	NA
2346	exec - deriv_nonloc.f90:406-449 [...]	deriv_nonlocj_quad4	InBetween	0.07	0.01	0.01	1	0.00	0	10.77	1	1	13.42	1	1.25	0.5	1.5	1.25	0	NA
2493	exec - deriv_jastrow4.f90:552-607	deriv_jastrow4	Innermost	0.07	0.01	0.01	1	4.00	2.67	12.63	1.06	1.97	2.76	1	2	3	0	3.75	0.25	NA
3471	exec - deriv_nonlpsi.f90:243-257	deriv_psibnl	Single	0.07	0.01	0.01	1	0.00	11.76	13.79	1.3	1.41	10.34	1	NA	NA	NA	NA	NA	NA
4529	exec - optorb.f90:124-126	optorb_compute	Innermost	0.07	0.01	0.01	1	8.00	100	50	1	1	2	1	0	3	0	0	0	NA
2423	exec - nonloc.f90:795-796	orbitals_quad	Innermost	0.07	0.01	0.01	1	22.00	0	12.5	1.05	1.11	8	1	0	0	0	0	9	NA
4269	exec - jastrow4.f90:55-273 [...]	jastrow_factor4	InBetween	0.07	0.01	0.01	1	4.00	10.14	13.01	2	2.57	11.57	1	NA	NA	NA	NA	NA	NA
3143	exec - orbitals.f90:562-579 [...]	orbitals	Innermost	0.07	0.01	0.01	1	0.00	0	6.25	1	1	16	1	0	0	0	1	0	NA
2317	exec - gammai.f90:74-78	gammai	Single	0.07	0.01	0.01	1	0.00	0	12.5	1	8	8	1	0	0	0	0	0	NA
4652	exec - get_norbterm.f90:182-186	get_norbterm	Innermost	0.07	0.01	0.01	1	0.00	0	6.25	1	1	16	1	0	1	0	0	0	NA
4416	exec - optjas.f90:88-90	optjas_deloc	Innermost	0.07	0.01	0.01	1	9.00	0	12.5	1	1	8	1	0	5	0	2	0	NA
4053	exec - distances.f90:118-128	distances	Single	0.07	0.01	0.01	1	0.00	23.08	15.38	1	1.5	2	1	0	2	0	1	0	NA
4543	exec - optorb.f90:171-174	optorb_sum	Innermost	0.07	0.01	0.01	1	4.00	100	50	1	1.17	2	1	0	6	0	0	0	NA
4079	exec - multiply_slmi_mderiv.f90:18-35 [...]	multiply_slmi_mderiv_simple	InBetween	0.07	0.01	0.01	1	0.00	0	12.5	1	1	8	1	NA	NA	NA	NA	NA	NA
4073	exec - multiply_slmi_mderiv.f90:25-26	multiply_slmi_mderiv_simple	Innermost	0.05	0.01	0.01	1	2.00	0	12.5	1	2.58	8	1	0	2	0	0	0	NA
2383	exec - nonloc.f90:77-186 [...]	nonloc	Outermost	0.05	0.01	0.01	1	0.00	27.21	20.5	3.77	2.43	9.03	1	NA	NA	NA	NA	NA	NA
2684	exec - multideterminant.f90:344-357 [...]	compute_ymat	Outermost	0.05	0.01	0.01	1	0.00	0	12.04	1	1	11.08	1	NA	NA	NA	NA	NA	NA
2292	exec - jassav.f90:16-57 [...]	jassav	InBetween	0.05	0.01	0.01	1	0.00	1.28	11.38	4.3	1	13.93	1	NA	NA	NA	NA	NA	NA
2617	exec - multideterminante.f90:220-251 [...]	multideterminante_grad	Outermost	0.05	0.01	0.01	1	0.00	7.41	15.28	2.31	1	7.26	1	NA	NA	NA	NA	NA	NA
2372	exec - nonloc.f90:269-270	nonloc	Innermost	0.05	0.01	0.01	1	0.00	100	50	1	1.41	2	1	0	2	0	0	0	NA
2667	exec - multideterminant.f90:100-159 [...]	multideterminant_hpsi	InBetween	0.05	0.01	0.01	1	0.00	34.85	25.38	2.42	1	4.99	1	NA	NA	NA	NA	NA	NA
3258	exec - determinante_psit.f90:29-30	determinante_psit	Single	0.05	0.01	0.01	1	8.00	100	50	1	1.5	2	1	0	3	0	0	0	NA
4083	exec - multiply_slmi_mderiv.f90:33-34	multiply_slmi_mderiv_simple	Innermost	0.05	0.01	0.01	1	2.00	0	12.5	1	1	8	1	0	1	0	1	0	NA
4388	exec - optjas.f90:44-123 [...]	optjas_deloc	InBetween	0.05	0.01	0.01	1	0.00	60.78	34.93	1.48	1	2.71	1	NA	NA	NA	NA	NA	NA
2392	exec - nonloc.f90:140-141	nonloc	Innermost	0.05	0.01	0.01	1	0.00	26.67	14.58	1.42	1	10.46	1	0.5	0	0	1	0	NA
4410	exec - optjas.f90:44-120 [...]	optjas_deloc	InBetween	0.05	0.01	0.01	1	0.00	16.56	17.71	4.1	1	6.89	1	NA	NA	NA	NA	NA	NA
2876	exec - jastrowe.f90:45-48	jastrowe	Innermost	0.05	0.01	0.01	1	0.00	0	12.5	1	1	8	1	0	1	0	4	0	NA
4071	exec - multiply_slmi_mderiv.f90:18-36	multiply_slmi_mderiv_simple	Outermost	0.05	0.01	0.01	1	2.00	0	11.5	1	1	10	1	NA	NA	NA	NA	NA	NA
4076	exec - multiply_slmi_mderiv.f90:18-34 [...]	multiply_slmi_mderiv_simple	InBetween	0.05	0.01	0.01	1	4.00	43.06	17.88	1.27	1.18	5.41	1	1	0	0	5.67	0	NA
2631	exec - multideterminant.f90:272-278	multideterminant_hpsi	Innermost	0.05	0.01	0.01	1	0.00	100	42.5	1.06	1	2.73	1	0	2	0	0	1	NA
2723	exec - multideterminant.f90:626-629	compute_zmat	Innermost	0.05	0.01	0.01	1	0.00	0	12.5	1	2.58	8	1	0	1	0	3	0	NA
2683	exec - multideterminant.f90:352-357	compute_ymat	Innermost	0.05	0.01	0.01	1	0.00	0	12.5	1.2	1.76	8	1	0	1	1	5	0	NA
5344	exec - optwf_sr_more.f90:180-182	atimes_n	Innermost	0.05	0.01	0.01	1	0.00	20	15	1.31	5.1	7.79	1	1	2	0	3	0	NA
3400	exec - determinant.f90:263-265	compute_bmatrices_kin	Innermost	0.05	0.01	0.01	1	8.00	100	50	1	1.5	2	1	0	5	0	0	0	NA
4054	exec - distances.f90:72-81	distances	Innermost	0.05	0.01	0.01	1	1.00	23.08	15.38	1	1.5	2	1	0	0	0	3	0	NA
2720	exec - multideterminant.f90:638-641	compute_zmat	Innermost	0.05	0.01	0.01	1	12.00	100	50	1.25	1.54	2	1	0	4	2	0	0	NA
4629	exec - optorb.f90:991-995	optorb_define	Innermost	0.05	0.01	0.01	1	0.00	0	6.25	1	1	16	1	0	1	0	0	0	NA
2668	exec - multideterminant.f90:107-113	multideterminant_hpsi	Innermost	0.05	0.01	0.01	1	5.00	0	12.5	1	1.11	8	1	0	4	0	3	0	NA
3256	exec - determinante_psit.f90:25-26	determinante_psit	Single	0.05	0.01	0.01	1	4.00	100	50	1	1.5	2	1	0	3	0	0	0	NA
4052	exec - distances.f90:133-146	distances	Single	0.05	0.01	0.01	1	0.00	17.65	14.71	1.38	2.06	2.75	1	0	2	0	3	0	NA
3223	exec - orbitals.f90:807-1190 [...]	orbitalse	Innermost	0.05	0.01	0.01	1	32.00	0	12.5	1	1.6	8	1	0	5	0	0	0	NA
2657	exec - multideterminant.f90:188-236 [...]	multideterminant_hpsi	Innermost	0.05	0.01	0.01	1	0.00	99.48	44.62	1.08	1.22	2.6	1	2	2	2	2	13	NA
2621	exec - multideterminante.f90:243-244	multideterminante_grad	Innermost	0.05	0.01	0.01	1	4.00	0	12.5	1	2.91	8	1	0	2	0	0	1	NA
3129	exec - orbitals.f90:94-583 [...]	orbitals	Outermost	0.05	0.01	0.01	1	0.00	3.2	12.35	1	1	12.45	1	NA	NA	NA	NA	NA	NA
2627	exec - multideterminant.f90:58-305 [...]	multideterminant_hpsi	Outermost	0.05	0.01	0.01	1	0.00	30.38	20.41	8.62	1	13.55	1	NA	NA	NA	NA	NA	NA
4265	exec - jastrow4.f90:55-336 [...]	jastrow_factor4	InBetween	0.05	0.01	0.01	1	0.00	5.95	12.65	2.6	2.16	7	1	NA	NA	NA	NA	NA	NA
4321	exec - jastrow4e.f90:131-134	jastrow4e	Innermost	0.05	0.01	0.01	1	0.00	0	11.64	1	2	9.33	1	1	1	0	1	0	NA
2382	exec - nonloc.f90:77-186 [...]	nonloc	InBetween	0.05	0.01	0.01	1	0.00	0	11.79	1	1	13.26	1	NA	NA	NA	NA	NA	NA
4070	exec - multiply_slmi_mderiv.f90:25-26	multiply_slmi_mderiv_simple	Innermost	0.05	0.01	0.01	1	8.00	0	12.5	1.47	1.56	8	1	0	3	1	0	0	NA
4057	exec - distances.f90:69-82	distances	Outermost	0.02	0	0	1	0.00	0	12.5	1.15	1	8	0	1	0	0	9	0	NA
7658	exec -	cvtas_t_to_a	InBetween	0.02	0	0	1	0.00	0	8.07	1	1	14.27	0	1.67	0.33	0	0.33	1.33	NA
2314	exec - gammai.f90:94-106	gammai	Single	0.02	0	0	1	0.00	0	11.98	1.01	3.03	3.03	0	0	0	0	0	0	NA
2492	exec - deriv_jastrow4.f90:526-530	deriv_jastrow4	Innermost	0.02	0	0	1	0.00	0	11.68	1	2.29	9.23	0	1	0	0	2	0	NA
2659	exec - multideterminant.f90:157-163	multideterminant_hpsi	Innermost	0.02	0	0	1	0.00	94.87	42.95	1.07	1.1	2	0	1	3	0	1	4	NA
3146	exec - orbitals.f90:94-559 [...]	orbitals	InBetween	0.02	0	0	1	0.00	1.92	12.5	1	1	8.65	0	1	0	0	0.75	0	NA
3142	exec - orbitals.f90:562-579 [...]	orbitals	Innermost	0.02	0	0	1	0.00	0	6.25	1	1	16	0	0	0	0	1	0	NA
4649	exec - get_norbterm.f90:190-191	get_norbterm	Innermost	0.02	0	0	1	0.00	0	6.25	1	1	16	0	0	1	0	0	0	NA
2421	exec - nonloc.f90:795-796	orbitals_quad	Innermost	0.02	0	0	1	0.00	100	50	1	1.54	2	0	0	2	0	0	0	NA
2612	exec - multideterminante.f90:52-54	multideterminante	Innermost	0.02	0	0	1	0.00	84.62	42.31	1.05	1	3	0	0	2	0	0	1	NA
4056	exec - distances.f90:72-81	distances	Innermost	0.02	0	0	1	0.00	19.67	14.96	1	1.5	2	0	1	0	0	8	0	NA
2598	exec - multideterminante.f90:37-63 [...]	multideterminante	InBetween	0.02	0	0	1	0.00	0	12.5	3.5	1	8	0	1	0	0	3	0	NA
7075	exec -	for__resource_acquire	Single	0.02	0	0	1	0.00	0	6.77	1	1	15.77	0	2	0	0	0	0	NA
7229	exec -	for_write_seq_fmt_xmit	InBetween	0.02	0	0	1	0.00	0	8.74	1	1	2.06	0	NA	NA	NA	NA	NA	NA
7328	exec -	for_cpstr	Single	0.02	0	0	1	0.00	0	9.38	1	1	13.71	0	0	1	0	0	0	NA
2213	exec - pot_local.f90:23-39 [...]	pot_local	Outermost	0.02	0	0	1	0.00	33.33	14.93	1	1.87	10.93	0	0	0	0	1.33	0	NA
4319	exec - jastrow4e.f90:55-333 [...]	jastrow4e	Innermost	0.02	0	0	1	0.00	0	11.54	1.33	1.21	8.89	0	2	0	0	0	2	NA
3252	exec - readps_gauss.f90:23-49	getvps_gauss	Outermost	0.02	0	0	1	0.00	21.11	14.19	3.34	1.96	11.61	0	4	0	7.5	4	0	NA
2407	exec - nonloc.f90:460-846 [...]	orbitals_quad	Outermost	0.02	0	0	1	0.00	4.88	13.41	6.75	1	10.99	0	NA	NA	NA	NA	NA	NA
3401	exec - determinante.f90:38-64	determinante	Outermost	0.02	0	0	1	0.00	23.26	15.99	4.26	3.24	11.84	0	NA	NA	NA	NA	NA	NA
6123	exec - metrop_mov1_slat.f90:349-355	metrop6	Innermost	0.02	0	0	1	0.00	40.25	17.2	1.19	2.3	7.13	0	1.5	0	0	2	0	NA
3447	exec - bxmatrices.f90:40-41	bxmatrix	Innermost	0.02	0	0	1	0.00	100	41.67	1.09	1	2.67	0	0	2	0	0	2	NA
2391	exec - nonloc.f90:151-168	nonloc	Innermost	0.02	0	0	1	0.00	4	11.75	3.3	2.44	12.65	0	1	0	1	10	0	NA
2608	exec - multideterminante.f90:63-64	multideterminante	Innermost	0.02	0	0	1	0.00	100	50	1	1	2	0	0	1	0	0	0	NA
4376	exec - optjas.f90:44-176 [...]	optjas_deloc	Outermost	0.02	0	0	1	0.00	6.52	14.04	7	1	11.45	0	NA	NA	NA	NA	NA	NA
2717	exec - multideterminant.f90:610-642 [...]	compute_zmat	InBetween	0.02	0	0	1	0.00	43.56	28.63	2.11	1.37	5.64	0	1	0	0	6.33	0	NA
2441	exec - nonloc.f90:1204-1207	nonlocj_quad4	Innermost	0.02	0	0	1	0.00	0	11.88	2.5	1.6	11.43	0	1	0	0	2	0	NA
2339	exec - deriv_nonloc.f90:282-455 [...]	deriv_nonlocj_quad4	Outermost	0.02	0	0	1	0.00	17.53	12.82	3.93	2.37	12.37	0	NA	NA	NA	NA	NA	NA
3427	exec - determinante.f90:319-322	determinante_ref_grad	Single	0.02	0	0	1	0.00	100	42.19	1.04	1.04	2.15	0	0	2	0	1	5	NA
2112	exec - set_input_data.f90:227-239	multideterminants_define	InBetween	0.02	0	0	1	0.00	0	8.59	1	1	14.63	0	NA	NA	NA	NA	NA	NA
7601	exec -	cvtas_t_to_a	InBetween	0.02	0	0	1	0.00	12.14	12.85	10.63	1	15.82	0	NA	NA	NA	NA	NA	NA
2571	exec - multideterminante.f90:166-169	multideterminante	Innermost	0.02	0	0	1	0.00	0	12.5	1.25	2.22	8	0	0	0	0	1	3	NA
2344	exec - deriv_nonloc.f90:422-427	deriv_nonlocj_quad4	Innermost	0.02	0	0	1	0.00	16.67	13.54	2.7	3.18	12.39	0	2	0	0	3	0	NA
4280	exec - jastrow4.f90:128-138 [...]	jastrow_factor4	Innermost	0.02	0	0	1	0.00	0	11.68	1	2.29	9.23	0	1	0	0	2	0	NA
2596	exec - multideterminante.f90:61-63	multideterminante	Innermost	0.02	0	0	1	0.00	0	12.5	1	1.5	8	0	0	2	0	0	0	NA
3407	exec - determinante.f90:52-53	determinante	Innermost	0.02	0	0	1	0.00	100	42.86	1.08	1.17	2.55	0	0	2	0	0	2	NA
390	exec - m_ewald.f90:222-222	allocate_periodic	Innermost	0.02	0	0	1	0.00	0	6.25	1	1	16	0	0	1	0	0	0	NA
2362	exec - nonloc.f90:77-322 [...]	nonloc	Outermost	0.02	0	0	1	0.00	66.67	34.72	1.71	1.32	3.14	0	NA	NA	NA	NA	NA	NA
2593	exec - multideterminante.f90:37-65 [...]	multideterminante	InBetween	0.02	0	0	1	0.00	0	12.37	1	1	8	0	NA	NA	NA	NA	NA	NA
7598	exec -	cvtas_t_to_a	Outermost	0.02	0	0	1	0.00	12.5	12.74	5.05	2.01	13.35	0	NA	NA	NA	NA	NA	NA
4296	exec - hpsi.f90:185-186	hpsi	Innermost	0.02	0	0	1	0.00	95.24	44.64	1.09	1.22	2.39	0	0	0	0	0	2	NA
3369	exec - determinant.f90:67-78	determinant	Innermost	0.02	0	0	1	0.00	0	11.51	1	1	15.39	0	3	0	0	4	0	NA
3402	exec - determinante.f90:38-62 [...]	determinante	Innermost	0.02	0	0	1	0.00	0	12.5	1	1.25	8	0	0	2	0	0	0	NA
4351	exec - detsav.f90:70-71	detsav	Innermost	0.02	0	0	1	0.00	0	12.5	1	1	8	0	0	8	0	0	0	NA
4648	exec - get_norbterm.f90:59-194 [...]	get_norbterm	InBetween	0.02	0	0	1	0.00	0	10.23	1	1	14.27	0	NA	NA	NA	NA	NA	NA
2577	exec - multideterminante.f90:164-164	multideterminante	Innermost	0.02	0	0	1	0.00	100	50	1	1	2	0	0	1	0	0	0	NA
3361	exec - basis_fns.f90:71-71	basis_fns	Innermost	0.02	0	0	1	0.00	100	50	1	1	2	0	0	1	0	0	0	NA
2356	exec - deriv_nonloc.f90:286-288	deriv_nonlocj_quad4	Innermost	0.02	0	0	1	0.00	12.5	14.06	1	1	7.5	0	1	0	0	0	0	NA
2628	exec - multideterminant.f90:108-286 [...]	multideterminant_hpsi	InBetween	0.02	0	0	1	0.00	15.07	16.7	3.25	2.2	11.31	0	NA	NA	NA	NA	NA	NA
2343	exec - deriv_nonloc.f90:432-434	deriv_nonlocj_quad4	Innermost	0.02	0	0	1	0.00	85.71	42.86	1.1	1.17	2.56	0	0	1	0	0	1	NA
2295	exec - jassav.f90:33-39	jassav	Innermost	0.02	0	0	1	0.00	0	12.5	1	1	8	0	0	0	0	4	0	NA
2711	exec - multideterminant.f90:479-485	compute_dymat	Single	0.02	0	0	1	0.00	0	12.5	2	2.38	8	0	1	1	1	4	0	NA
2639	exec - multideterminant.f90:269-269	multideterminant_hpsi	Innermost	0.02	0	0	1	0.00	100	50	1	1	2	0	0	1	0	0	0	NA
2419	exec - nonloc.f90:460-797 [...]	orbitals_quad	InBetween	0.02	0	0	1	0.00	20.83	14.06	1.94	1.64	10.02	0	1	0	0	1.5	0.75	NA
2606	exec - multideterminante.f90:63-64	multideterminante	Innermost	0.02	0	0	1	0.00	0	6.25	1	1	16	0	0	1	0	0	0	NA
4363	exec - detsav.f90:96-100	detsav	Innermost	0.02	0	0	1	0.00	87.5	45.31	1.03	1	2.91	0	0	1	0	0	1	NA
4384	exec - optjas.f90:44-147 [...]	optjas_deloc	InBetween	0.02	0	0	1	0.00	19.47	18.64	2.38	1	6.54	0	NA	NA	NA	NA	NA	NA
4443	exec - optjas.f90:227-240	optjas_sum	InBetween	0.02	0	0	1	0.00	0	12.28	1.66	2.31	11.08	0	1	3	0	0	5	NA
385	exec - m_ewald.f90:213-223 [...]	allocate_periodic	Outermost	0.02	0	0	1	0.00	0	11.36	1	1	12.14	0	NA	NA	NA	NA	NA	NA
4355	exec - detsav.f90:46-55	detsav	InBetween	0.02	0	0	1	0.00	14.29	16.96	3.95	1	7.47	0	NA	NA	NA	NA	NA	NA
2656	exec - multideterminant.f90:188-236 [...]	multideterminant_hpsi	Innermost	0.02	0	0	1	0.00	6.67	13.33	2.03	2.34	8	0	2	1	0	7	2	NA
2369	exec - nonloc.f90:273-275	nonloc	Innermost	0.02	0	0	1	0.00	100	50	1	1.5	2	0	0	2	0	0	0	NA
2884	exec - write_orb_loc.f90:115-120	write_orb_loc	Innermost	0.02	0	0	1	0.00	0	8.71	1	1	13.43	0	2	0	0	2	0	NA
3450	exec - bxmatrices.f90:40-41	bxmatrix	Innermost	0.02	0	0	1	0.00	100	41.67	1.09	1	2.67	0	0	2	0	0	2	NA
4267	exec - jastrow4.f90:55-318 [...]	jastrow_factor4	Innermost	0.02	0	0	1	0.00	0	11.74	1.22	1.14	8.62	0	2	0	0	0	2	NA
2444	exec - nonloc.f90:1117-1119	nonlocj_quad4	Innermost	0.02	0	0	1	0.00	0	12.5	1	1	8	0	1	0	0	0	0	NA
3419	exec - determinante.f90:120-148 [...]	compute_determinante_grad	Outermost	0.02	0	0	1	0.00	5.88	12.5	1	1	15.58	0	NA	NA	NA	NA	NA	NA
408	exec - m_ewald.f90:342-342	allocate_tempor_test	Innermost	0.02	0	0	1	0.00	0	6.25	1	1	16	0	0	1	0	0	0	NA
2368	exec - nonloc.f90:77-276 [...]	nonloc	InBetween	0.02	0	0	1	0.00	29.06	23.04	2.51	1.37	7.69	0	0.75	0	0	2.75	0	NA
3406	exec - determinante.f90:56-57	determinante	Innermost	0.02	0	0	1	0.00	100	50	1	1.5	2	0	0	3	0	0	0	NA
4651	exec - get_norbterm.f90:182-186	get_norbterm	Innermost	0.02	0	0	1	0.00	0	6.25	1	1	16	0	0	1	0	0	0	NA
3090	exec - matinv.f90:69-82	matinv	Outermost	0.02	0	0	1	0.00	20	14.38	1.53	2.17	12.9	0	NA	NA	NA	NA	NA	NA

Report Configuration

Loops Index

▶Filters

▼Colums Filter