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_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 (%)
36	libqmckl.so.0.0.0 - qmckl_ao.c:2433-3595 [...]	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	18.04	17.87	14.57	16.62	15.24	13.6	22.65	20.02	10.07	5.22	2.57	1.41	0.92	2.31	20.02	10.01	5	2.47	1.33	0.85	1.66	1	2	4	8	16	26	52	29.02	21.22	1.5	1.02	5.1	1	1.01	1.05	1.05	1.09	1.14	1.45	NA	NA	NA	NA	NA	1	1	0	1	0	1.01	0	0.94	0.9	0.91	1.28	0.23	17.4
106	libqmckl.so.0.0.0 - qmckl_ao.c:2433-2986 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	12.88	12.61	10.13	12.61	10.66	9.43	4.07	14.29	7.06	3.59	2	0.98	0.68	0.34	14.29	7.06	3.48	1.88	0.93	0.59	0.3	1	2	4	8	16	26	52	28.75	20.91	1.41	1.02	5.17	1	1	1.04	1.08	1.09	1.21	1.17	NA	NA	NA	NA	NA	1	1.01	0	1.03	0	0.95	0.63	0.96	0.42	0.93	0.65	0.92	0.34
37	libqmckl.so.0.0.0 - qmckl_ao.c:3480-3595 [...]	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	8.71	8.6	7.55	8.49	7.17	6.27	5.02	9.67	4.84	2.61	1.34	0.68	0.48	0.57	9.67	4.81	2.59	1.26	0.63	0.39	0.37	1	2	4	8	16	26	52	37.96	25.69	1.92	1.84	6.03	1	1.01	1.02	1.07	1.11	1.26	1.63	NA	NA	NA	NA	NA	1	1.01	0	0.93	0.5	0.96	0.35	0.96	0.29	0.95	0.29	0.5	2.5
40	libqmckl.so.0.0.0 - qmckl_ao.c:3454-3470	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	3.2	3.28	2.59	3.05	2.68	2.47	2.48	3.55	1.92	0.97	0.52	0.31	0.22	0.31	3.55	1.84	0.89	0.45	0.23	0.15	0.18	1	2	4	8	16	26	52	28.15	21.71	1.58	1	3.93	1	1.05	1.1	1.16	1.35	1.47	1.82	1	1.67	0	1.67	0.67	1	0.96	0.12	1	0.01	0.99	0.04	0.96	0.09	0.91	0.22	0.38	1.54
107	libqmckl.so.0.0.0 - qmckl_ao.c:2940-2986 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	3.08	3.16	2.58	2.68	2.47	2.08	0.94	3.42	1.83	0.92	0.5	0.26	0.18	0.13	3.42	1.77	0.89	0.4	0.22	0.13	0.07	1	2	4	8	16	26	52	10	14.13	3.3	1.17	8.99	1	1.03	1.05	1.28	1.24	1.5	1.86	NA	NA	NA	NA	NA	1	0.97	0.11	0.96	0.1	1.07	0	0.97	0.07	1.01	0	0.94	0.06
112	libqmckl.so.0.0.0 - qmckl_ao.c:2925-2985 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	3.02	3	2.57	2.78	2.58	2.28	0.93	3.35	1.69	0.96	0.47	0.28	0.19	0.11	3.35	1.68	0.88	0.41	0.23	0.14	0.07	1	2	4	8	16	26	52	0	9.82	3.75	1	10.91	1	1.01	1.09	1.15	1.27	1.36	1.57	NA	NA	NA	NA	NA	1	1	0.01	0.95	0.12	1.02	0	0.91	0.23	0.92	0.18	0.92	0.07
34	bench_aos -	__intel_avx_rep_memset	Single	2.77	2.8	2.62	3.24	2.82	2.77	1.8	3.07	1.65	1.05	0.6	0.3	0.22	0.19	3.07	1.57	0.9	0.48	0.25	0.17	0.13	1	2	4	8	16	26	52	100	50	1	1	2	1	1.06	1.18	1.25	1.25	1.29	1.46	0	1	0	0	0	1	0.98	0.06	0.85	0.39	0.8	0.65	0.77	0.66	0.69	0.85	0.45	0.98
41	libqmckl.so.0.0.0 - qmckl_ao.c:3463-3470	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	2.42	2.41	1.95	2.26	1.83	1.81	2.49	2.69	1.36	0.7	0.38	0.22	0.16	0.34	2.69	1.35	0.67	0.34	0.16	0.11	0.18	1	2	4	8	16	26	52	75	40.63	1.15	1.33	3.33	1	1.01	1.06	1.15	1.38	1.45	2	1	2	0	0	1	1	1	0.01	1	0	0.99	0.02	1.05	0	0.94	0.11	0.29	1.77
113	libqmckl.so.0.0.0 - qmckl_ao.c:2929-2932	qmckl_compute_ao_value_hpc_gaussian	Innermost	1.71	1.74	1.44	1.71	1.4	1.18	0.54	1.9	1	0.57	0.29	0.15	0.1	0.07	1.9	0.97	0.49	0.25	0.12	0.07	0.04	1	2	4	8	16	26	52	0	11.25	1.44	2.14	11.87	1	1.03	1.16	1.16	1.25	1.43	1.75	2	0	1	0	3	1	0.98	0.04	0.97	0.04	0.95	0.09	0.99	0.01	1.04	0	0.91	0.05
49	libqmckl.so.0.0.0 - qmckl_ao.c:3404-3408	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	1.71	1.56	1.4	1.73	1.35	1.22	0.81	1.9	0.91	0.5	0.31	0.16	0.11	0.11	1.9	0.87	0.48	0.26	0.12	0.08	0.06	1	2	4	8	16	26	52	0	12.5	1.13	2.25	8	1	1.05	1.04	1.24	1.45	1.57	1.83	0	2	0	0	0	1	1.09	0	0.99	0.01	0.91	0.15	0.99	0.01	0.91	0.11	0.61	0.32
120	libqmckl.so.0.0.0 - qmckl_ao.c:2886-2890	qmckl_compute_ao_value_hpc_gaussian	Innermost	1.52	1.69	1.37	1.51	1.24	1.21	0.49	1.69	0.99	0.5	0.24	0.14	0.12	0.06	1.69	0.95	0.47	0.22	0.11	0.08	0.04	1	2	4	8	16	26	52	0	12.5	1.13	2.25	8	1	1.05	1.06	1.09	1.27	1.71	2	0	2	0	0	0	1	0.89	0.19	0.9	0.14	0.96	0.06	0.96	0.05	0.81	0.23	0.81	0.09
35	libqmckl.so.0.0.0 - qmckl_ao.c:2433-3595 [...]	qmckl_compute_ao_vgl_hpc_gaussian	Outermost	1.4	1.41	1.42	1.42	1.36	1.29	2.84	1.55	0.82	0.77	0.26	0.15	0.13	0.27	1.55	0.79	0.49	0.21	0.12	0.08	0.21	1	2	4	8	16	26	52	9.09	13.64	3.5	1	7.8	1	1.04	1.6	1.24	1.25	1.63	1.35	NA	NA	NA	NA	NA	1	0.98	0.03	0.79	0.3	0.92	0.11	0.81	0.26	0.75	0.33	0.14	2.44
42	libqmckl.so.0.0.0 - qmckl_ao.c:3441-3447	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	1.23	1.35	1.05	1.05	1.1	0.96	0.37	1.36	0.77	0.41	0.19	0.13	0.08	0.05	1.36	0.76	0.36	0.16	0.1	0.06	0.03	1	2	4	8	16	26	52	7.14	13.39	1.06	1.13	7.58	1	1.03	1.14	1.27	1.44	1.33	1.67	1	2	0	1	0	1	0.89	0.14	0.94	0.06	1.06	0	0.85	0.17	0.87	0.12	0.87	0.05
32	bench_aos -	__intel_avx_rep_memcpy	Single	0.43	0.43	0.35	0.41	0.34	0.29	0.13	0.48	0.48	0.48	0.48	0.46	0.45	0.47	0.48	0.24	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	1	0	1	0	1	0	1	0	0.92	0.02	0.92	0.01
50	libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.32	0.31	0.24	0.29	0.36	0.26	0.25	0.36	0.19	0.12	0.07	0.05	0.03	0.04	0.36	0.17	0.08	0.04	0.03	0.02	0.02	1	2	4	8	16	25	47	12.9	13.51	1.18	1.25	9.41	1	1.12	1.5	1.75	1.67	1.5	2	1	8	0	0	1	1	1.06	0	1.13	0	1.13	0	0.75	0.09	0.69	0.08	0.35	0.16
121	libqmckl.so.0.0.0 - qmckl_ao.c:2669-2695	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.31	0.31	0.23	0.26	0.28	0.23	0.1	0.34	0.17	0.09	0.07	0.05	0.02	0.02	0.34	0.18	0.08	0.04	0.02	0.01	0.01	1	2	4	8	16	26	39	12.9	13.51	1.18	1.25	9.41	1	1	1.13	1.75	2.5	2	2	1	8	0	0	1	1	0.94	0.02	1.06	0	1.06	0	1.06	0	1.31	0	0.65	0.03
104	libqmckl.so.0.0.0 - qmckl_ao.c:2433-2986 [...]	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.25	0.24	0.21	0.23	0.29	0.23	0.16	0.28	0.16	0.09	0.05	0.05	0.03	0.04	0.28	0.14	0.07	0.03	0.03	0.01	0.01	1	2	4	8	16	24	47	16.67	14.58	2.93	1	7.79	1	1.23	1.29	1.67	1.67	1.5	4	NA	NA	NA	NA	NA	1	1	0	1	0	1.17	0	0.58	0.12	1.08	0	0.54	0.07
119	libqmckl.so.0.0.0 - qmckl_ao.c:2897-2898	qmckl_compute_ao_value_hpc_gaussian	Innermost	0.24	0.24	0.19	0.19	0.21	0.16	0.07	0.27	0.14	0.08	0.04	0.04	0.02	0.02	0.27	0.13	0.07	0.03	0.02	0.01	0.01	1	2	4	8	15	22	34	100	50	1.6	1	2	1	1.08	1.14	1.33	2	2	2	1	2	0	0	0	1	1.04	0	0.96	0.01	1.13	0	0.84	0.03	1.04	0	0.52	0.03
122	libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698	qmckl_compute_ao_value_hpc_gaussian	InBetween	0.19	0.11	0.13	0.13	0.14	0.14	0.04	0.21	0.08	0.05	0.04	0.03	0.02	0.01	0.21	0.06	0.05	0.02	0.01	0.01	0	1	2	4	8	14	21	22	22.22	13.54	2.88	2.88	13.43	1	1.33	1.25	2	3	2	1	2	5	3	2	0	1	1.75	0	1.05	0	1.31	0	1.31	0	0.81	0.03	1	0
51	libqmckl.so.0.0.0 - qmckl_ao.c:2666-2698	qmckl_compute_ao_vgl_hpc_gaussian	InBetween	0.16	0.14	0.08	0.17	0.14	0.14	0.09	0.18	0.09	0.04	0.04	0.03	0.02	0.03	0.18	0.08	0.03	0.02	0.01	0.01	0.01	1	2	4	8	15	23	34	22.22	13.54	2.88	2.88	13.43	1	1.13	1.33	2	3	2	3	2	1	2	6	0	1	1.13	0	1.5	0	1.13	0	1.13	0	0.69	0.04	0.35	0.06
33	bench_aos -	__intel_avx_rep_memcpy	Single	0.07	0.07	0.06	0.05	0.06	0.04	0.02	0.07	0.07	0.08	0.06	0.08	0.06	0.08	0.08	0.04	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	1	0	1	0	1	0	1	0	1	0	1	0
43	libqmckl.so.0.0.0 - qmckl_ao.c:3441-3447	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.04	0.07	0.04	0.08	0.06	0.05	0.04	0.04	0.05	0.02	0.04	0.01	0	0.01	0.04	0.04	0.01	0.01	0.01	0	0	1	2	3	6	12	16	19	81.4	37.79	1.02	1.24	2.88	1	1.25	1	4	1	0	1	1	1	4	0	0	1	0.5	0.04	1	0	0.5	0.04	0.25	0.04	1	0	1	0
56	libqmckl.so.0.0.0 - qmckl_ao.c:2625-2628	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.02	0.01	0.02	0.01	0.03	0.02	0.01	0.02	0.01	0.01	0.01	0.01	0	0.01	0.02	0.01	0.01	0	0	0	0	1	2	4	3	7	6	6	0	12.5	1	1.33	8	1	1	1	1	0	0	0	0	3	0	0	0	1	1	0	0.5	0.01	1	0	1	0	1	0	1	0
63	libqmckl.so.0.0.0 - qmckl_ao.c:3300-3304	qmckl_compute_ao_vgl_hpc_gaussian	Innermost	0.01	0.01	0.04	0.12	0.2	0.39	0.56	0.02	0.01	0.03	0.03	0.03	0.04	0.08	0.01	0.01	0.01	0.02	0.02	0.02	0.04	1	1	4	8	16	26	52	91.37	46.76	1.36	1	2.36	1	1	3	1.5	1.5	2	2	2	0	0	3.25	0	1	0.5	0.01	0.25	0.03	0.06	0.11	0.03	0.19	0.02	0.38	0	0.56

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