OV - m1o1 - Loops

Run run_0	Number processes: 1Number nodes: 1Run Command: <executable> ../qmckl_bench/data/Alz_large.h5MPI Command: Dataset: Run Directory: .OMP_NUM_THREADS: 1
Run run_1	OMP_NUM_THREADS: 2
Run run_2	OMP_NUM_THREADS: 4
Run run_3	OMP_NUM_THREADS: 8
Run run_4	OMP_NUM_THREADS: 16
Run run_5	OMP_NUM_THREADS: 26
Run run_6	OMP_NUM_THREADS: 52

Loop id	Source Location	Source Function	Level	Coverage run_0 (%)	Coverage run_1 (%)	Coverage run_2 (%)	Coverage run_3 (%)	Coverage run_4 (%)	Coverage run_5 (%)	Coverage run_6 (%)	Max Time Over Threads run_0 (s)	Max Time Over Threads run_1 (s)	Max Time Over Threads run_2 (s)	Max Time Over Threads run_3 (s)	Max Time Over Threads run_4 (s)	Max Time Over Threads run_5 (s)	Max Time Over Threads run_6 (s)	Time w.r.t. Wall Time run_0 (s)	Time w.r.t. Wall Time run_1 (s)	Time w.r.t. Wall Time run_2 (s)	Time w.r.t. Wall Time run_3 (s)	Time w.r.t. Wall Time run_4 (s)	Time w.r.t. Wall Time run_5 (s)	Time w.r.t. Wall Time run_6 (s)	Nb Threads run_0	Nb Threads run_1	Nb Threads run_2	Nb Threads run_3	Nb Threads run_4	Nb Threads run_5	Nb Threads run_6	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	Speedup If Perfect Load Balancing run_1	Speedup If Perfect Load Balancing run_2	Speedup If Perfect Load Balancing run_3	Speedup If Perfect Load Balancing run_4	Speedup If Perfect Load Balancing run_5	Speedup If Perfect Load Balancing run_6	Stride 0	Stride 1	Stride n	Stride Unknown	Stride Indirect	(run_0) Efficiency	(run_0) Potential Speed-Up (%)	(run_1) Efficiency	(run_1) Potential Speed-Up (%)	(run_2) Efficiency	(run_2) Potential Speed-Up (%)	(run_3) Efficiency	(run_3) Potential Speed-Up (%)	(run_4) Efficiency	(run_4) Potential Speed-Up (%)	(run_5) Efficiency	(run_5) Potential Speed-Up (%)	(run_6) Efficiency	(run_6) Potential Speed-Up (%)
434	libqmckl.so.0.0.0 - qmckl_mo.c:1329-1334	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	55.74	56.86	51.49	51.05	47.29	44.15	34.29	29.24	13.56	6.8	3.38	1.67	1.06	0.58	29.24	13.72	6.85	3.44	1.76	1.17	0.64	1	2	4	8	16	26	52	100	50	1	1.61	2	1	1.01	1.04	1.04	1.02	1.04	1.12	0	9	0	0	0	1	0	1.07	0	1.07	0	1.06	0	1.04	0	0.96	1.71	0.88	4.16
380	libqmckl.so.0.0.0 - qmckl_mo.c:984-987	qmckl_compute_mo_basis_mo_value_hpc	Innermost	26.55	21.58	19.56	19.43	18.34	18.42	16.62	13.93	5.11	3.03	1.33	0.7	0.47	0.28	13.93	5.21	2.6	1.31	0.68	0.49	0.31	1	2	4	8	16	26	52	100	50	1	1.28	2	1	1	1.22	1.08	1.11	1.09	1.12	0	9	0	0	0	1	0	1.34	0	1.34	0	1.33	0	1.28	0	1.09	0	0.86	2.26
436	libqmckl.so.0.0.0 - qmckl_mo.c:1281-1288	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	1.59	1.57	1.59	1.4	1.53	1.34	1.23	0.83	0.39	0.23	0.13	0.08	0.06	0.05	0.83	0.38	0.21	0.09	0.06	0.04	0.02	1	2	4	8	16	26	51	75	40.63	1.05	1	2.18	1	1.05	1.15	1.44	1.6	2	2.5	0.5	2.5	0.5	2	0.5	1	0	1.09	0	0.99	0.02	1.15	0	0.86	0.21	0.8	0.27	0.8	0.25
36	libqmckl.so.0.0.0 - qmckl_ao.c:2433-3595 [...]	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	1.52	1.73	1.48	1.47	1.5	1.44	2.24	0.8	0.41	0.2	0.12	0.07	0.05	0.06	0.8	0.42	0.2	0.1	0.06	0.04	0.04	1	2	4	8	16	26	52	29.02	21.22	1.5	1.02	5.1	1	1	1.05	1.33	1.4	1.67	2	NA	NA	NA	NA	NA	1	0	0.95	0.08	1	0	1	0	0.83	0.25	0.77	0.33	0.38	1.38
431	libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	1.25	1.32	1.28	1.22	1.22	1.09	0.81	0.65	0.34	0.17	0.11	0.06	0.05	0.03	0.65	0.32	0.17	0.08	0.05	0.03	0.02	1	2	4	8	16	25	47	100	50	1	1	2	1	1.1	1.06	1.38	1.5	1.67	3	0	6	0	0	0	1	0	1.02	0	0.96	0.06	1.02	0	0.81	0.23	0.83	0.18	0.63	0.3
433	libqmckl.so.0.0.0 - qmckl_mo.c:1295-1334	qmckl_compute_mo_basis_mo_vgl_hpc	InBetween	1.18	1.2	1.35	1.3	0.93	1.07	0.82	0.62	0.29	0.18	0.11	0.05	0.05	0.03	0.62	0.29	0.18	0.09	0.03	0.03	0.02	1	2	4	8	16	25	47	33.62	25.11	1.17	1.17	4.6	1	1.04	1.06	1.38	1.67	1.67	3	NA	NA	NA	NA	NA	1	0	1.07	0	0.86	0.19	0.86	0.18	1.29	0	0.79	0.22	0.6	0.33
32	bench_mos -	__intel_avx_rep_memcpy	Single	0.86	0.94	0.89	0.87	0.82	0.75	0.58	0.45	0.44	0.45	0.44	0.45	0.45	0.45	0.45	0.23	0.12	0.06	0.03	0.02	0.01	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	0.98	0.02	0.94	0.06	0.94	0.05	0.94	0.05	0.87	0.1	0.87	0.08
106	libqmckl.so.0.0.0 - qmckl_ao.c:2433-2986 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.81	0.9	0.74	0.84	0.82	0.79	0.67	0.43	0.21	0.11	0.08	0.04	0.04	0.03	0.43	0.22	0.1	0.06	0.03	0.02	0.01	1	2	4	8	16	25	49	28.75	20.91	1.41	1.02	5.17	1	1	1.22	1.6	1.33	2	3	NA	NA	NA	NA	NA	1	0	0.98	0.02	1.07	0	0.9	0.09	0.9	0.09	0.83	0.14	0.83	0.12
37	libqmckl.so.0.0.0 - qmckl_ao.c:3480-3595 [...]	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.62	0.85	0.71	0.65	0.63	0.68	0.53	0.32	0.2	0.11	0.06	0.05	0.03	0.03	0.33	0.2	0.09	0.04	0.02	0.02	0.01	1	2	4	8	16	26	45	37.96	25.69	1.92	1.84	6.03	1	1	1.22	1.5	2.5	1.5	3	NA	NA	NA	NA	NA	1	0	0.82	0.15	0.92	0.06	1.03	0	1.03	0	0.63	0.25	0.63	0.19
435	libqmckl.so.0.0.0 - qmckl_mo.c:1329-1334	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	0.6	0.86	0.68	0.61	0.68	0.67	0.62	0.32	0.21	0.12	0.05	0.05	0.04	0.03	0.32	0.21	0.09	0.04	0.03	0.02	0.01	1	2	4	8	16	23	43	100	50	1	1.53	2	1	1.05	1.33	1.25	2.5	2	3	0	9	0	0	0	1	0	0.76	0.2	0.89	0.08	1	0	0.67	0.23	0.62	0.26	0.62	0.24
377	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.56	0.47	0.35	0.39	0.42	0.41	0.34	0.3	0.13	0.06	0.05	0.03	0.03	0.02	0.29	0.11	0.05	0.03	0.02	0.01	0.01	1	2	4	8	15	20	33	100	50	1	1	2	1	1.18	1.5	2.5	1.5	3	2	0	2	0	0	0	1	0	1.32	0	1.45	0	1.21	0	0.91	0.04	1.12	0	0.56	0.15
384	libqmckl.so.0.0.0 - qmckl_mo.c:952-955	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.53	0.59	0.54	0.5	0.52	0.51	0.36	0.28	0.17	0.1	0.05	0.03	0.03	0.02	0.28	0.14	0.07	0.03	0.02	0.01	0.01	1	2	4	8	15	21	35	62.5	33.59	1	1	2	1	1.21	1.43	1.67	1.5	3	2	NA	NA	NA	NA	NA	1	0	1	0	1	0	1.17	0	0.88	0.06	1.08	0	0.54	0.17
381	libqmckl.so.0.0.0 - qmckl_mo.c:984-987	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.47	0.6	0.49	0.5	0.55	0.46	0.37	0.24	0.15	0.07	0.07	0.04	0.03	0.02	0.24	0.15	0.07	0.03	0.02	0.01	0.01	1	2	4	8	16	23	37	100	50	1	1.33	2	1	1.07	1.17	2.33	2	3	2	0	9	0	0	0	1	0	0.8	0.12	0.86	0.07	1	0	0.75	0.14	0.92	0.04	0.46	0.2
40	libqmckl.so.0.0.0 - qmckl_ao.c:3454-3470	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.42	0.24	0.25	0.25	0.23	0.27	0.32	0.22	0.07	0.05	0.03	0.02	0.01	0.02	0.22	0.06	0.03	0.02	0.01	0.01	0.01	1	2	4	7	14	23	30	28.15	21.71	1.58	1	3.93	1	1.17	1.67	1.5	2	1	2	1	1.67	0	1	0	1	0	1.83	0	1.83	0	1.38	0	1.38	0	0.85	0.04	0.42	0.18
34	bench_mos -	__intel_avx_rep_memset	Single	0.34	0.52	0.43	0.54	0.42	0.37	0.75	0.18	0.14	0.08	0.05	0.04	0.02	0.03	0.18	0.12	0.06	0.04	0.02	0.01	0.01	1	2	4	8	15	24	49	100	50	1	1	2	1	1.17	1.6	1.67	2	2	3	0	1	0	0	0	1	0	0.75	0.13	0.75	0.11	0.56	0.24	0.56	0.18	0.69	0.11	0.35	0.49
107	libqmckl.so.0.0.0 - qmckl_ao.c:2940-2986 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.23	0.24	0.28	0.3	0.12	0.19	0.1	0.12	0.08	0.05	0.02	0.01	0.02	0.01	0.12	0.06	0.04	0.02	0	0.01	0	1	2	4	8	7	15	15	10	14.13	3.3	1.17	8.99	1	1.33	1.25	1	1	2	1	NA	NA	NA	NA	NA	1	0	1	0	0.75	0.07	0.75	0.07	1	0	0.46	0.1	1	0
112	libqmckl.so.0.0.0 - qmckl_ao.c:2925-2985 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.2	0.22	0.2	0.18	0.24	0.11	0.15	0.1	0.07	0.04	0.02	0.01	0.01	0.01	0.1	0.05	0.03	0.01	0.01	0	0	1	2	4	7	15	12	19	0	9.82	3.75	1	10.91	1	1.4	1.33	2	1	1	1	NA	NA	NA	NA	NA	1	0	1	0	0.83	0.03	1.25	0	0.63	0.09	1	0	1	0
428	libqmckl.so.0.0.0 - qmckl_mo.c:1265-1354 [...]	qmckl_compute_mo_basis_mo_vgl_hpc	Outermost	0.19	0.22	0.15	0.23	0.07	0.1	0.17	0.1	0.06	0.02	0.02	0.01	0.01	0.02	0.1	0.05	0.02	0.02	0	0	0	1	2	4	8	7	10	16	26.53	22.19	3.68	1	6.32	1	1.2	1	2	1	1	2	NA	NA	NA	NA	NA	1	0	1	0	1.25	0	0.63	0.09	1	0	1	0	1	0
379	libqmckl.so.0.0.0 - qmckl_mo.c:962-987	qmckl_compute_mo_basis_mo_value_hpc	InBetween	0.16	0.13	0.1	0.13	0.18	0.17	0.12	0.08	0.04	0.01	0.02	0.01	0.01	0.01	0.08	0.03	0.01	0.01	0.01	0	0	1	2	4	7	11	11	17	32.86	24.82	1.33	1.33	5.42	1	1.33	1	2	1	1	1	NA	NA	NA	NA	NA	1	0	1.33	0	2	0	1	0	0.5	0.09	1	0	1	0
41	libqmckl.so.0.0.0 - qmckl_ao.c:3463-3470	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.15	0.23	0.19	0.17	0.23	0.17	0.28	0.08	0.06	0.04	0.02	0.02	0.01	0.02	0.08	0.06	0.02	0.01	0.01	0	0.01	1	2	4	7	13	13	31	75	40.63	1.15	1.33	3.33	1	1.2	2	2	2	1	2	1	2	0	0	1	1	0	0.67	0.08	1	0	1	0	0.5	0.12	1	0	0.15	0.24
49	libqmckl.so.0.0.0 - qmckl_ao.c:3404-3408	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.15	0.14	0.22	0.14	0.16	0.12	0.12	0.08	0.04	0.04	0.02	0.03	0.01	0.01	0.08	0.03	0.03	0.01	0.01	0	0	1	2	4	5	9	11	17	0	12.5	1.13	2.25	8	1	1.33	1.33	2	3	1	1	0	2	0	0	0	1	0	1.33	0	0.67	0.07	1	0	0.5	0.08	1	0	1	0
35	libqmckl.so.0.0.0 - qmckl_ao.c:2433-3595 [...]	qmckl_compute_ao_vgl_hpc_gaussian	Outermost	0.14	0.07	0.21	0.1	0.12	0.1	0.26	0.07	0.02	0.04	0.01	0.01	0.01	0.02	0.08	0.02	0.03	0.01	0	0	0	1	2	4	6	8	11	28	9.09	13.64	3.5	1	7.8	1	1	1.33	1	1	1	2	NA	NA	NA	NA	NA	1	0	2	0	0.67	0.07	1	0	1	0	1	0	1	0
33	bench_mos -	__intel_avx_rep_memcpy	Single	0.13	0.13	0.15	0.15	0.1	0.12	0.08	0.07	0.06	0.08	0.07	0.05	0.07	0.06	0.07	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	2	0	0	0	1	0	1.17	0	0.88	0.02	0.88	0.02	1	0	1	0	1	0
120	libqmckl.so.0.0.0 - qmckl_ao.c:2886-2890	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.11	0.11	0.15	0.07	0.1	0.1	0.08	0.06	0.03	0.03	0.01	0.01	0.01	0.01	0.06	0.03	0.02	0	0	0	0	1	2	4	5	9	10	9	0	12.5	1.13	2.25	8	1	1	1.5	1	1	1	1	0	2	0	0	0	1	0	1	0	0.75	0.04	1	0	1	0	1	0	1	0
113	libqmckl.so.0.0.0 - qmckl_ao.c:2929-2932	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.1	0.14	0.11	0.1	0.08	0.07	0.11	0.05	0.04	0.02	0.01	0.01	0.01	0.01	0.05	0.03	0.01	0.01	0	0	0	1	2	4	5	8	8	16	0	11.25	1.44	2.14	11.87	1	1.33	2	1	1	1	1	2	0	1	0	3	1	0	0.83	0.02	1.25	0	0.63	0.04	1	0	1	0	1	0
42	libqmckl.so.0.0.0 - qmckl_ao.c:3441-3447	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.1	0.1	0.11	0.07	0.16	0.08	0.11	0.05	0.03	0.02	0.01	0.01	0.01	0.01	0.05	0.02	0.01	0	0.01	0	0	1	2	4	5	10	8	16	7.14	13.39	1.06	1.13	7.58	1	1.5	2	1	1	1	1	1	2	0	1	0	1	0	1.25	0	1.25	0	1	0	0.31	0.11	1	0	1	0
104	libqmckl.so.0.0.0 - qmckl_ao.c:2433-2986 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.05	0.01	0.01	0.04	0.04	0.01	0.03	0.02	0	0	0	0	0	0	0.03	0	0	0	0	0	0	1	1	1	4	4	1	4	16.67	14.58	2.93	1	7.79	1	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0	1	0	1	0	1	0	1	0	1	0	1	0
437	libqmckl.so.0.0.0 - qmckl_mo.c:1281-1288	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	0.05	0.02	0.03	0.04	0.11	0.02	0.02	0.02	0.01	0.01	0	0.01	0	0.01	0.03	0.01	0	0	0	0	0	1	2	2	4	6	2	3	70	38.75	1.11	1	2.22	1	0	1	0	1	0	0	1	2.5	0.5	1	2	1	0	1.5	0	1	0	1	0	1	0	1	0	1	0
385	libqmckl.so.0.0.0 - qmckl_mo.c:952-956	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.02	0.01	0	0.01	0.02	0	0.01	0.01	0		0	0.01		0	0.01	0		0	0		0	1	1		1	2		2	0	12.5	1.14	1	8	1	0	0	0	0	0	0	0	2.33	0	0	0	1	0	1	0			1	0	1	0			1	0
432	libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	0.02	0	0.01	0.01	0.02	0.02	0.01	0.01		0	0	0.01	0	0	0.01		0	0	0	0	0	1		1	1	1	2	1	100	50	1	1	2	1	0	0	0	1	0	0	0	6	0	0	0	1	0			1	0	1	0	1	0	1	0	1	0
50	libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.02	0.06	0.02	0.03	0.02	0.03	0.01	0.01	0.02	0	0	0.01	0	0	0.01	0.02	0	0	0	0	0	1	2	2	3	2	4	2	12.9	13.51	1.18	1.25	9.41	1	1	0	0	0	0	0	1	8	0	0	1	1	0	0.25	0.04	1	0	1	0	1	0	1	0	1	0
383	libqmckl.so.0.0.0 - qmckl_mo.c:952-955	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0.01	0	0	0.01	0	0.01	0.01	0			0		0	0.01	0			0		0	0	1			1		1	1	85.71	43.75	1.08	1	2	0	0	0	0	0	0	1	0	0.5	0.5	1	0	1	0					1	0			1	0	1	0
430	libqmckl.so.0.0.0 - qmckl_mo.c:1349-1354	qmckl_compute_mo_basis_mo_vgl_hpc	Innermost	0.01	0.01	0.01	0	0	0.02	0	0	0.01	0			0.01		0	0	0			0		1	1	1			2		0	12.5	1	1	8	0	1	0	0	0	1	0	0	6	0	0	0	1	0	1	0	1	0					1	0
119	libqmckl.so.0.0.0 - qmckl_ao.c:2897-2898	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.01	0.02	0.02	0.02	0	0.03	0.02	0	0.01	0	0		0	0	0	0.01	0	0		0	0	1	1	2	2		4	3	100	50	1.6	1	2	0	1	0	0	0	0	0	1	2	0	0	0	1	0	0	0.02	1	0	1	0			1	0	1	0
54	libqmckl.so.0.0.0 - qmckl_ao.c:2632-2633	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.01	0	0	0	0	0	0	0							0							1							100	42.5	1	1	2.57	0	0	0	0	0	0	0	0	1	0	0	0	1	0
51	libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.01	0.03	0.02	0.01	0.01	0	0.02	0	0.01	0	0	0		0	0	0.01	0	0	0		0	1	2	2	1	1		3	22.22	13.54	2.88	2.88	13.43	0	1	0	0	0	0	0	2	1	2	6	0	1	0	0	0.03	1	0	1	0	1	0			1	0
429	libqmckl.so.0.0.0 - qmckl_mo.c:1338-1354	qmckl_compute_mo_basis_mo_vgl_hpc	InBetween	0.01	0.02	0.01	0.01	0	0.01	0.02	0	0.01	0	0		0	0	0	0.01	0	0		0	0	1	2	1	1		1	3	2.94	13.42	2.27	1	12.12	0	0	0	0	0	0	0	NA	NA	NA	NA	NA	1	0	0	0.02	1	0	1	0			1	0	1	0
52	libqmckl.so.0.0.0 - qmckl_ao.c:2663-2700	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0	0	0	0.01	0	0	0				0							0							1				10	11.88	1.5	1	9.6	0	0	0	0	0	0	0	1	3	1	6	0							1	0
62	libqmckl.so.0.0.0 - qmckl_ao.c:3300-3304	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0	0.01							0.01							0							1	79.17	34.9	1.29	1	3.45	0	0	0	0	0	0	1	1	0	0	2	0													1	0
125	libqmckl.so.0.0.0 - qmckl_ao.c:2632-2633	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0	0.01	0	0					0							0							1			100	42.5	1	1	2.57	0	0	0	0	0	0	0	0	1	0	0	0									1	0
375	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0	0.01	0	0.01	0.01	0	0		0		0	0				0		0	0				1		1	1			0	12.5	1	1.5	8	0	0	0	0	0	0	0	0	2	0	0	0			1	0			1	0	1	0
48	libqmckl.so.0.0.0 - qmckl_ao.c:3414-3415	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0	0.01							0							0							1	100	44.44	1.17	1	2.91	0	0	0	0	0	0	0	1	1	1	0	0													1	0
63	libqmckl.so.0.0.0 - qmckl_ao.c:3300-3304	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0	0.01							0							0							1	91.37	46.76	1.36	1	2.36	0	0	0	0	0	0	0	2	0	0	3.25	0													1	0
64	libqmckl.so.0.0.0 - qmckl_ao.c:3300-3305	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0.01	0.02						0	0						0	0						1	3	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
378	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0	0.02	0	0.02	0.02	0	0.02		0.01		0	0		0.01		0.01		0	0		0		1		2	2		3	0	12.5	1	1.5	8	0	1	0	0	0	0	1	0	2	0	0	0			1	0			1	0	1	0			1	0
132	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2808	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0	0	0	0.01							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
133	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2807	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0	0	0	0.01							0.01							0							2	79.17	34.9	1.29	1	3.45	0	0	0	0	0	0	0	1	0	0	2	0													1	0
60	libqmckl.so.0.0.0 - qmckl_ao.c:3298-3308	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0	0	0	0	0	0	0.01							0							0							1	5.26	11.84	5	1	12.31	0	0	0	0	0	0	0	NA	NA	NA	NA	NA													1	0
376	libqmckl.so.0.0.0 - qmckl_mo.c:998-999	qmckl_compute_mo_basis_mo_value_hpc	Innermost	0	0	0	0	0.01	0	0					0							0							1			100	50	1	1.41	2	0	0	0	0	0	0	0	0	2	0	0	0									1	0
373	libqmckl.so.0.0.0 - qmckl_mo.c:942-1002 [...]	qmckl_compute_mo_basis_mo_value_hpc	Outermost	0	0.01	0.03	0.04	0.04	0.02	0.01		0	0.01	0.01	0	0	0		0	0	0	0	0	0		1	2	3	4	3	2	14.81	16.44	2.88	1	9.66	0	0	1	1	0	0	0	NA	NA	NA	NA	NA			1	0	1	0	1	0	1	0	1	0	1	0
135	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2808	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0.01	0	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
108	libqmckl.so.0.0.0 - qmckl_ao.c:2985-2986	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0	0.01	0	0					0							0							1			0	12.5	1.13	2.25	8	0	0	0	0	0	0	0	0	3	0	0	0									1	0
134	libqmckl.so.0.0.0 - qmckl_ao.c:2803-2807	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0	0	0	0.03	0.02	0.04					0	0	0.01					0	0	0					3	2	7	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
131	libqmckl.so.0.0.0 - qmckl_ao.c:2801-2811	qmckl_compute_ao_value_hpc_gaussian	InBetween	0	0	0	0	0	0.01	0.02						0	0						0	0						1	3	5.26	11.84	5	1	12.31	0	0	0	0	0	0	0	NA	NA	NA	NA	NA											1	0	1	0
355	libqmckl.so.0.0.0 - qmckl_mo.c:702-706	qmckl_provide_mo_basis_mo_value	Innermost	0	0.01	0	0	0	0	0		0							0							1						0	11.81	1	1	13.42	0	0	0	0	0	0	0	1	0	0	0	0			1	0
121	libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695	qmckl_compute_ao_value_hpc_gaussian	Innermost	0	0.01	0.02	0.05	0	0.02	0.02		0.01	0	0.01		0	0		0	0	0		0	0		1	2	4		3	3	12.9	13.51	1.18	1.25	9.41	0	1	0	1	0	0	0	1	8	0	0	1			1	0	1	0	1	0			1	0	1	0
122	libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698	qmckl_compute_ao_value_hpc_gaussian	InBetween	0	0.01	0.01	0	0	0	0.01		0	0				0		0	0				0		1	1				1	22.22	13.54	2.88	2.88	13.43	0	0	0	0	0	0	0	2	5	3	2	0			1	0	1	0							1	0
374	libqmckl.so.0.0.0 - qmckl_mo.c:946-999 [...]	qmckl_compute_mo_basis_mo_value_hpc	InBetween	0	0.01	0.01	0	0	0	0.01		0	0				0		0	0				0		1	1				1	0	11.51	2.25	1	12.71	0	0	0	0	0	0	0	NA	NA	NA	NA	NA			1	0	1	0							1	0
43	libqmckl.so.0.0.0 - qmckl_ao.c:3441-3447	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0	0	0	0	0	0	0.01							0							0							1	81.4	37.79	1.02	1.24	2.88	0	0	0	0	0	0	0	1	1	4	0	0													1	0

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