OV - - Loops

Run m1o1	Number processes: 1Number nodes: 1Run Command: <executable> ../qmckl_bench/data/Alz_small.h5MPI Command: Dataset: Run Directory: .OMP_NUM_THREADS: 1
Run m1o2	OMP_NUM_THREADS: 2
Run m1o4	OMP_NUM_THREADS: 4
Run m1o8	OMP_NUM_THREADS: 8
Run m1o16	OMP_NUM_THREADS: 16
Run m1o26	OMP_NUM_THREADS: 26
Run m1o52	OMP_NUM_THREADS: 52

Loop id	Source Location	Source Function	Level	Coverage m1o1 (%)	Coverage m1o2 (%)	Coverage m1o4 (%)	Coverage m1o8 (%)	Coverage m1o16 (%)	Coverage m1o26 (%)	Coverage m1o52 (%)	Max Time Over Threads m1o1 (s)	Max Time Over Threads m1o2 (s)	Max Time Over Threads m1o4 (s)	Max Time Over Threads m1o8 (s)	Max Time Over Threads m1o16 (s)	Max Time Over Threads m1o26 (s)	Max Time Over Threads m1o52 (s)	Time w.r.t. Wall Time m1o1 (s)	Time w.r.t. Wall Time m1o2 (s)	Time w.r.t. Wall Time m1o4 (s)	Time w.r.t. Wall Time m1o8 (s)	Time w.r.t. Wall Time m1o16 (s)	Time w.r.t. Wall Time m1o26 (s)	Time w.r.t. Wall Time m1o52 (s)	Nb Threads m1o1	Nb Threads m1o2	Nb Threads m1o4	Nb Threads m1o8	Nb Threads m1o16	Nb Threads m1o26	Nb Threads m1o52	Vectorization Ratio (%)	Vector Length Use (%)	Speedup If No Scalar Integer	Speedup If FP Vectorized	Speedup If Fully Vectorized	Speedup If Perfect Load Balancing m1o1	Speedup If Perfect Load Balancing m1o2	Speedup If Perfect Load Balancing m1o4	Speedup If Perfect Load Balancing m1o8	Speedup If Perfect Load Balancing m1o16	Speedup If Perfect Load Balancing m1o26	Speedup If Perfect Load Balancing m1o52	Stride 0	Stride 1	Stride n	Stride Unknown	Stride Indirect	(m1o1) Efficiency	(m1o1) Potential Speed-Up (%)	(m1o2) Efficiency	(m1o2) Potential Speed-Up (%)	(m1o4) Efficiency	(m1o4) Potential Speed-Up (%)	(m1o8) Efficiency	(m1o8) Potential Speed-Up (%)	(m1o16) Efficiency	(m1o16) Potential Speed-Up (%)	(m1o26) Efficiency	(m1o26) Potential Speed-Up (%)	(m1o52) Efficiency	(m1o52) Potential Speed-Up (%)
100	libqmckl.so.0.0.0 - qmckl_mo.c:1329-1334	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	52.66	51.41	48.95	47.18	44.52	40.69	32.51	10.14	4.86	2.46	1.25	0.64	0.4	0.22	10.14	4.84	2.45	1.21	0.6	0.37	0.21	1	2	4	8	16	26	52	100	50	1	1.61	2	1	1.01	1.01	1.03	1.07	1.08	1.16	0	9	0	0	0	1	0	1.05	0	1.03	0	1.05	0	1.06	0	1.05	0	0.93	2.32
46	libqmckl.so.0.0.0 - qmckl_mo.c:984-987	qmckl_compute_mo_basis_mo_value_hpc	Innermost	21.84	20.18	19.38	18.53	17.05	16.55	14.04	4.2	1.9	0.98	0.5	0.24	0.17	0.1	4.2	1.9	0.97	0.48	0.23	0.15	0.09	1	2	4	8	16	26	52	100	50	1	1.28	2	1	1	1.01	1.06	1.04	1.13	1.25	0	9	0	0	0	1	0	1.11	0	1.08	0	1.09	0	1.14	0	1.08	0	0.9	1.44
35	bench_mos -	__intel_avx_rep_memset	Single	4.08	4.31	4.31	4.32	4.69	4.34	6.69	0.78	0.42	0.29	0.19	0.09	0.05	0.07	0.78	0.41	0.22	0.11	0.06	0.04	0.04	1	2	4	8	16	26	52	100	50	1	1	2	1	1.02	1.32	1.73	1.5	1.25	1.75	0	1	0	0	0	1	0	0.95	0.21	0.89	0.49	0.89	0.49	0.81	0.88	0.75	1.08	0.38	4.18
177	libqmckl.so.0.0.0 - qmckl_ao.c:2433-3618 [...]	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	2.67	2.64	2.48	2.59	1.93	2.15	2.02	0.51	0.29	0.13	0.08	0.04	0.05	0.03	0.51	0.25	0.12	0.07	0.03	0.02	0.01	1	2	4	8	16	26	48	29.12	21.19	1.5	1.02	5.11	1	1.16	1.08	1.14	1.33	2.5	3	NA	NA	NA	NA	NA	1	0	1.02	0	1.06	0	0.91	0.23	1.06	0	0.98	0.04	0.98	0.04
102	libqmckl.so.0.0.0 - qmckl_mo.c:1281-1288	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	2.39	2.32	2.2	2.17	2.16	2	1.84	0.46	0.22	0.13	0.09	0.07	0.04	0.04	0.46	0.22	0.11	0.06	0.03	0.02	0.01	1	2	4	8	16	26	45	75	40.63	1.05	1	2.18	1	1	1.18	1.5	2.33	2	4	0.5	2.5	0.5	2	0.5	1	0	1.05	0	1.05	0	0.96	0.09	0.96	0.09	0.88	0.23	0.88	0.21
178	libqmckl.so.0.0.0 - qmckl_ao.c:3503-3618 [...]	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	2	1.86	1.65	1.59	1.83	1.56	1.21	0.38	0.18	0.1	0.06	0.04	0.03	0.02	0.38	0.18	0.08	0.04	0.02	0.01	0.01	1	2	4	8	16	25	43	37.96	25.69	1.92	1.84	6.03	1	1.06	1.25	1.5	2	3	2	NA	NA	NA	NA	NA	1	0	1.06	0	1.19	0	1.19	0	1.19	0	1.46	0	0.73	0.33
99	libqmckl.so.0.0.0 - qmckl_mo.c:1295-1334	qmckl_compute_mo_basis_mo_vgl_hpc	InBetween	1.87	1.86	1.83	1.73	1.55	1.54	1.35	0.36	0.21	0.1	0.07	0.05	0.04	0.03	0.36	0.18	0.09	0.04	0.02	0.01	0.01	1	2	4	8	16	23	41	33.62	25.11	1.17	1.17	4.6	1	1.17	1.11	1.75	2.5	2	3	NA	NA	NA	NA	NA	1	0	1	0	1	0	1.13	0	1.13	0	1.38	0	0.69	0.42
247	libqmckl.so.0.0.0 - qmckl_ao.c:2433-2999 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	1.82	1.57	1.53	1.64	1.65	1.5	0.99	0.35	0.16	0.08	0.06	0.03	0.02	0.02	0.35	0.15	0.08	0.04	0.02	0.01	0.01	1	2	4	8	16	26	37	29.75	21.19	1.35	1.04	5.18	1	1.07	1	1.5	1.5	2	2	NA	NA	NA	NA	NA	1	0	1.17	0	1.09	0	1.09	0	1.09	0	1.35	0	0.67	0.32
97	libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	1.17	1.46	1.23	1.56	1.32	1.37	0.98	0.22	0.15	0.08	0.05	0.04	0.04	0.02	0.22	0.14	0.06	0.04	0.02	0.01	0.01	1	2	4	8	16	25	36	100	50	1	1	2	1	1.07	1.33	1.25	2	4	2	0	6	0	0	0	1	0	0.79	0.31	0.92	0.1	0.69	0.49	0.69	0.41	0.85	0.21	0.42	0.57
50	libqmckl.so.0.0.0 - qmckl_mo.c:952-955	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.93	0.56	0.53	0.93	0.56	0.55	0.62	0.18	0.05	0.05	0.04	0.02	0.02	0.01	0.18	0.05	0.03	0.02	0.01	0.01	0	1	2	4	8	11	17	27	62.5	33.59	1	1	2	1	1	1.67	2	2	2	1	NA	NA	NA	NA	NA	1	0	1.8	0	1.5	0	1.13	0	1.13	0	0.69	0.17	1	0
47	libqmckl.so.0.0.0 - qmckl_mo.c:984-987	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.62	1.12	0.93	0.81	0.81	0.63	0.55	0.12	0.11	0.05	0.03	0.02	0.02	0.01	0.12	0.11	0.05	0.02	0.01	0.01	0	1	2	4	8	16	18	25	100	50	1	1.33	2	1	1.1	1	1.5	2	2	1	0	9	0	0	0	1	0	0.55	0.51	0.6	0.37	0.75	0.2	0.75	0.2	0.46	0.34	1	0
182	libqmckl.so.0.0.0 - qmckl_ao.c:3486-3493	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.62	0.61	0.38	0.59	0.86	0.48	0.39	0.12	0.06	0.03	0.02	0.02	0.01	0.01	0.12	0.06	0.02	0.02	0.01	0	0	1	2	4	8	15	15	20	75	40.63	1.15	1.33	3.33	1	1	1.5	2	2	1	1	1	2	0	0	1	1	0	1	0	1.5	0	0.75	0.15	0.75	0.21	1	0	1	0
248	libqmckl.so.0.0.0 - qmckl_ao.c:2953-2999 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.57	0.43	0.48	0.37	0.72	0.51	0.34	0.11	0.04	0.03	0.02	0.02	0.02	0.01	0.11	0.04	0.02	0.01	0.01	0	0	1	2	4	6	13	15	20	11.86	14.65	3.19	1.27	9.71	1	1	1.5	2	2	2	1	NA	NA	NA	NA	NA	1	0	1.38	0	1.38	0	1.38	0	0.69	0.22	1	0	1	0
181	libqmckl.so.0.0.0 - qmckl_ao.c:3477-3493	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.52	0.77	0.68	0.46	0.42	0.51	0.39	0.1	0.07	0.05	0.03	0.02	0.01	0.01	0.1	0.07	0.03	0.01	0.01	0	0	1	2	4	8	11	15	18	28.15	21.71	1.58	1	3.93	1	1	1.67	3	2	1	1	1	0.33	0	3	0.67	1	0	0.71	0.22	0.83	0.11	1.25	0	0.63	0.16	1	0	1	0
253	libqmckl.so.0.0.0 - qmckl_ao.c:2938-2998 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.49	0.48	0.63	0.59	0.56	0.48	0.34	0.09	0.05	0.04	0.03	0.02	0.01	0.01	0.09	0.05	0.03	0.02	0.01	0	0	1	2	4	8	15	14	17	0	9.82	3.75	1	10.91	1	1	1.33	3	2	1	1	NA	NA	NA	NA	NA	1	0	0.9	0.05	0.75	0.16	0.56	0.26	0.56	0.25	1	0	1	0
45	libqmckl.so.0.0.0 - qmckl_mo.c:962-987	qmckl_compute_mo_basis_mo_value_hpc	InBetween	0.36	0.72	0.63	0.59	0.44	0.53	0.42	0.07	0.08	0.04	0.02	0.02	0.01	0.01	0.07	0.07	0.03	0.02	0.01	0	0	1	2	4	8	12	19	20	32.86	24.82	1.33	1.33	5.42	1	1.14	1.33	2	2	1	1	NA	NA	NA	NA	NA	1	0	0.5	0.36	0.58	0.26	0.44	0.33	0.44	0.25	1	0	1	0
261	libqmckl.so.0.0.0 - qmckl_ao.c:2893-2897	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.36	0.45	0.4	0.24	0.32	0.29	0.18	0.07	0.05	0.03	0.01	0.01	0.01	0.01	0.07	0.04	0.02	0.01	0	0	0	1	2	4	6	11	12	9	0	12.5	1.13	2.25	8	1	1.25	1.5	1	1	1	1	0	2	0	0	0	1	0	0.88	0.06	0.88	0.05	0.88	0.03	1	0	1	0	1	0
190	libqmckl.so.0.0.0 - qmckl_ao.c:3415-3419	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.34	0.43	0.35	0.34	0.23	0.17	0.08	0.06	0.05	0.03	0.01	0.01	0.01	0	0.06	0.04	0.02	0.01	0	0	0	1	2	4	8	8	7	5	0	12.5	1.13	2.25	8	1	1.25	1.5	1	1	1	0	0	2	0	0	0	1	0	0.75	0.11	0.75	0.09	0.75	0.09	1	0	1	0	1	0
43	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.34	0.4	0.53	0.61	0.6	0.38	0.23	0.06	0.04	0.03	0.03	0.02	0.01	0.01	0.06	0.04	0.03	0.02	0.01	0	0	1	2	4	8	14	12	13	100	50	1	1	2	1	1	1	1.5	2	1	1	0	2	0	0	0	1	0	0.75	0.1	0.5	0.27	0.38	0.38	0.38	0.38	1	0	1	0
33	bench_mos -	__intel_avx_rep_memcpy	Single	0.31	0.32	0.3	0.32	0.3	0.27	0.2	0.06	0.06	0.06	0.06	0.06	0.07	0.06	0.06	0.03	0.02	0.01	0	0	0	1	1	1	1	1	1	1	100	50	1	1	2	1	1	1	1	1	1	1	0	0	0	2	0	1	0	1	0	0.75	0.07	0.75	0.08	1	0	1	0	1	0
183	libqmckl.so.0.0.0 - qmckl_ao.c:3464-3470	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.21	0.29	0.3	0.29	0.19	0.21	0.1	0.04	0.04	0.03	0.02	0.02	0.01	0	0.04	0.03	0.02	0.01	0	0	0	1	2	4	6	6	9	6	7.14	13.39	1.06	1.13	7.58	1	1.33	1.5	2	2	1	0	1	2	0	1	0	1	0	0.67	0.1	0.5	0.15	0.5	0.14	1	0	1	0	1	0
254	libqmckl.so.0.0.0 - qmckl_ao.c:2942-2945	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.18	0.35	0.25	0.27	0.37	0.32	0.28	0.04	0.04	0.02	0.01	0.02	0.01	0.01	0.04	0.03	0.01	0.01	0.01	0	0	1	2	4	7	9	12	16	0	11.25	1.44	2.14	11.87	1	1.33	2	1	2	1	1	2	0	1	0	3	1	0	0.67	0.12	1	0	0.5	0.14	0.25	0.28	1	0	1	0
263	libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.16	0.08	0.08	0	0.09	0.04	0	0.03	0.01	0.01		0.01	0		0.03	0.01	0		0	0		1	2	3		4	2		22.22	13.54	2.88	2.88	13.43	1	1	0	0	0	0	0	2	5	3	2	0	1	0	1.5	0	1	0			1	0	1	0
39	libqmckl.so.0.0.0 - qmckl_mo.c:942-1002 [...]	qmckl_compute_mo_basis_mo_value_hpc	Outermost	0.13	0.13	0.1	0.02	0.02	0.06	0.08	0.02	0.01	0.01	0	0	0	0.01	0.02	0.01	0.01	0	0	0	0	1	2	2	1	1	3	5	14.81	16.44	2.88	1	9.66	1	1	1	0	0	0	0	NA	NA	NA	NA	NA	1	0	1	0	0.5	0.05	1	0	1	0	1	0	1	0
94	libqmckl.so.0.0.0 - qmckl_mo.c:1265-1354 [...]	qmckl_compute_mo_basis_mo_vgl_hpc	Outermost	0.13	0.21	0.1	0.17	0.14	0.13	0.08	0.02	0.03	0.01	0.01	0.01	0	0	0.02	0.02	0.01	0	0	0	0	1	2	4	5	5	6	5	26.53	22.19	3.68	1	6.32	1	1.5	0	1	1	0	0	NA	NA	NA	NA	NA	1	0	0.5	0.1	0.5	0.05	1	0	1	0	1	0	1	0
192	libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.1	0.08	0	0	0.07	0.08	0.02	0.02	0.01			0	0.01	0	0.02	0.01			0	0	0	1	1			3	4	1	22.22	13.54	2.88	2.88	13.43	1	1	0	0	0	0	0	2	1	2	6	0	1	0	1	0					1	0	1	0	1	0
191	libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.08	0.16	0.15	0.05	0.07	0.04	0.13	0.01	0.03	0.01	0	0	0.01	0.01	0.01	0.02	0.01	0	0	0	0	1	2	2	2	3	1	7	12.9	13.51	1.18	1.25	9.41	1	1.5	1	0	0	1	1	1	8	0	0	1	1	0	0.25	0.12	0.25	0.11	1	0	1	0	1	0	1	0
262	libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.08	0.05	0.15	0.32	0.16	0.13	0.05	0.01	0	0.01	0.01	0.01	0	0	0.01	0.01	0.01	0.01	0	0	0	1	2	3	8	5	6	3	12.9	13.51	1.18	1.25	9.41	1	0	1	1	1	0	0	1	8	0	0	1	1	0	0.5	0.03	0.25	0.11	0.13	0.28	1	0	1	0	1	0
34	bench_mos -	__intel_avx_rep_memcpy	Single	0.05	0.05	0.05	0.05	0.05	0.02	0.03	0.01	0.01	0.01	0.01	0.01	0	0.01	0.01	0.01	0	0	0	0	0	1	1	1	1	1	1	1	100	50	1	1	2	1	1	1	1	1	0	1	0	2	0	0	0	1	0	0.5	0.03	1	0	1	0	1	0	1	0	1	0
245	libqmckl.so.0.0.0 - qmckl_ao.c:2433-2999 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.05	0.08	0.05	0.05	0.16	0.08	0.1	0.01	0.01	0.01	0.01	0.01	0	0	0.01	0.01	0	0	0	0	0	1	2	1	1	6	4	6	20	15	2.64	1	7.77	1	1	1	1	1	0	0	NA	NA	NA	NA	NA	1	0	0.5	0.04	1	0	1	0	1	0	1	0	1	0
184	libqmckl.so.0.0.0 - qmckl_ao.c:3464-3470	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.05	0.03	0.03	0.1	0.05	0	0.03	0.01	0	0	0.01	0		0	0.01	0	0	0	0		0	1	1	1	2	2		2	81.4	37.79	1.01	1.23	2.84	1	0	0	1	0	0	0	1	2	2	0	0	1	0	1	0	1	0	1	0	1	0			1	0
197	libqmckl.so.0.0.0 - qmckl_ao.c:2625-2628	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.05	0	0	0.02	0.02	0	0	0.01			0	0			0.01			0	0			1			1	1			0	12.5	1	1.33	8	1	0	0	0	0	0	0	0	3	0	0	0	1	0					1	0	1	0
193	libqmckl.so.0.0.0 - qmckl_ao.c:2663-2700	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.05	0	0	0	0.02	0	0	0.01				0.01			0.01				0			1				1			10	11.88	1.5	1	9.6	1	0	0	0	1	0	0	1	3	1	6	0	1	0							1	0
189	libqmckl.so.0.0.0 - qmckl_ao.c:3428-3429	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.03	0	0.03	0	0	0	0.05	0		0				0	0		0				0	1		1				3	100	44.44	1.17	1	2.91	0	0	0	0	0	0	0	1	1	1	0	0	1	0			1	0							1	0
250	libqmckl.so.0.0.0 - qmckl_ao.c:2998-2999	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.03	0	0	0	0	0	0	0							0							1							100	50	1.13	1.6	2	0	0	0	0	0	0	0	0	3	0	0	0	1	0
176	libqmckl.so.0.0.0 - qmckl_ao.c:2433-3618 [...]	qmckl_compute_ao_vgl_hpc_gaussian	Outermost	0.03	0.13	0.08	0.1	0.21	0.13	0.34	0	0.02	0.01	0	0.01	0.01	0.01	0	0.01	0	0	0	0	0	1	1	2	4	6	5	18	9.09	13.64	3.5	1	7.8	0	1	1	0	1	1	1	NA	NA	NA	NA	NA	1	0	0	0.13	1	0	1	0	1	0	1	0	1	0
95	libqmckl.so.0.0.0 - qmckl_mo.c:1338-1354	qmckl_compute_mo_basis_mo_vgl_hpc	InBetween	0.03	0.08	0.05	0.05	0.09	0.02	0	0	0.01	0	0	0.01	0		0	0.01	0	0	0	0		1	2	2	2	4	1		2.94	13.42	2.27	1	12.12	0	1	0	0	0	0	0	NA	NA	NA	NA	NA	1	0	0	0.08	1	0	1	0	1	0	1	0
260	libqmckl.so.0.0.0 - qmckl_ao.c:2906-2907	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.03	0.08	0	0.07	0.07	0.04	0.03	0	0.01		0	0	0	0	0	0.01		0	0	0	0	1	2		3	3	2	2	100	50	1.6	1	2	0	1	0	0	0	0	0	1	2	0	0	0	1	0	0	0.08			1	0	1	0	1	0	1	0
49	libqmckl.so.0.0.0 - qmckl_mo.c:952-955	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.03	0	0	0	0	0	0.02	0						0	0						0	1						1	85.71	43.75	1.08	1	2	0	0	0	0	0	0	0	0	0.5	0.5	1	0	1	0											1	0
40	libqmckl.so.0.0.0 - qmckl_mo.c:946-999 [...]	qmckl_compute_mo_basis_mo_value_hpc	InBetween	0.03	0	0.13	0	0	0.04	0.03	0		0.01			0.01	0	0		0.01			0	0	1		3			2	2	0	11.51	2.25	1	12.71	0	0	1	0	0	0	0	NA	NA	NA	NA	NA	1	0			0	0.13					1	0	1	0
202	libqmckl.so.0.0.0 - qmckl_ao.c:3304-3309	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0	0.02							0							0							1	0	10.83	1.41	1	11.14	0	0	0	0	0	0	0	0	1	0	0	1.33													1	0
204	libqmckl.so.0.0.0 - qmckl_ao.c:3304-3308	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0.07	0.02	0.23	0.16				0	0	0.01	0				0	0	0	0				3	1	11	10	91.37	46.76	1.36	1	2.36	0	0	0	0	0	0	0	2	0	0	3.25	0							1	0	1	0	1	0	1	0
275	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2807	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0.02	0	0.11	0.05				0		0	0				0		0	0				1		5	3	91.37	46.76	1.36	1	2.36	0	0	0	0	0	0	0	2	0	0	3.25	0							1	0			1	0	1	0
179	libqmckl.so.0.0.0 - qmckl_ao.c:3610-3618	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0.02	0	0					0							0							1			100	50	1	1.73	2	0	0	0	0	0	0	0	0	11	0	0	0									1	0
276	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2808	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0.02	0	0	0				0							0							1				0	10.83	1.32	1	10.92	0	0	0	0	0	0	0	0	2.33	0	0	0							1	0
272	libqmckl.so.0.0.0 - qmckl_ao.c:2801-2811	qmckl_compute_ao_value_hpc_gaussian	InBetween	0	0	0	0	0	0	0.05							0.01							0							3	5.26	11.84	5	1	12.31	0	0	0	0	0	0	0	NA	NA	NA	NA	NA													1	0
203	libqmckl.so.0.0.0 - qmckl_ao.c:3304-3308	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0.05	0	0.06	0.02				0		0	0				0		0	0				2		3	1	79.17	34.9	1.29	1	3.45	0	0	0	0	0	0	0	1	0	0	2	0							1	0			1	0	1	0
41	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0	0.05	0.03	0.02	0	0.02	0		0.01	0	0		0			0.01	0	0		0			1	1	1		1		0	12.5	1	1.5	8	0	1	0	0	0	0	0	0	2	0	0	0			1	0	1	0	1	0			1	0
205	libqmckl.so.0.0.0 - qmckl_ao.c:3304-3309	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0.04	0.07						0	0						0	0						2	4	0	10.83	1.32	1	10.92	0	0	0	0	0	0	0	0	2.33	0	0	0											1	0	1	0
268	libqmckl.so.0.0.0 - qmckl_ao.c:2625-2628	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0.02	0	0	0				0							0							1				0	12.5	1	1.33	8	0	0	0	0	0	0	0	0	3	0	0	0							1	0
265	libqmckl.so.0.0.0 - qmckl_ao.c:2632-2633	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0.03	0	0	0	0			0							0							1					0	12.5	1	1	8	0	0	0	0	0	0	0	0	1	0	0	0					1	0
44	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0	0.05	0.08	0.02	0	0	0		0	0.01	0					0.01	0	0					2	2	1				0	12.5	1	1.5	8	0	0	1	0	0	0	0	0	2	0	0	0			1	0	1	0	1	0
264	libqmckl.so.0.0.0 - qmckl_ao.c:2663-2700	qmckl_compute_ao_value_hpc_gaussian	InBetween	0	0	0	0	0.02	0.02	0					0	0.01						0	0						1	1		11.11	11.81	1.25	1	10	0	0	0	0	0	1	0	2	4	0	6	0									1	0	1	0
8	libqmckl.so.0.0.0 - qmckl_mo.c:169-170	qmckl_finalize_mo_basis	Innermost	0	0	0	0.02	0	0	0				0							0							1				33.33	16.67	1.33	1	7.11	0	0	0	0	0	0	0	0	1	0	2	0							1	0
201	libqmckl.so.0.0.0 - qmckl_ao.c:3302-3312	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0	0	0	0	0	0.06	0						0							0							3		5.26	11.84	5	1	12.31	0	0	0	0	0	0	0	NA	NA	NA	NA	NA											1	0
274	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2807	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0	0	0	0.05							0.01							0							2	79.17	34.9	1.29	1	3.45	0	0	0	0	0	0	1	1	0	0	2	0													1	0

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