OV - MD scalability Skylake GCC Ofast 2-52 threads runs, naive compute_forces() with code opts and alignment

Software Topology

▼Scalability - run_2_threads

Number processes: 1 Number nodes: 1 Run Command: <executable>MPI Command: Run Directory: /home/fmusial/MD_BenchmarksOMP_PROC_BIND: closeOMP_NUM_THREADS: 2OMP_SCHEDULE: staticOMP_PLACES: coresOMP_WAIT_POLICY: active

ID	Observed Processes	Observed Threads	Time(s)	Elapsed Time (s)	Active Time (%)	Start (after process) (s)	End (before process) (s)	Maximum Time on the Same CPU (s)
►Node skylake+	1	2	3336.94
►Process 842728+		2	3336.94
○Thread 842728			3336.94	3339.29	99.93	0.00	0.00	3339.23
○Thread 842792			3284.21	3338.77	98.37	0.51	0.00	3338.77

▶Scalability - run_4_threads

Number processes: 1 Number nodes: 1 Run Command: <executable>MPI Command: Run Directory: /home/fmusial/MD_BenchmarksOMP_NUM_THREADS: 4OMP_PROC_BIND: closeOMP_SCHEDULE: staticOMP_PLACES: coresOMP_WAIT_POLICY: active

ID	Observed Processes	Observed Threads	Time(s)	Elapsed Time (s)	Active Time (%)	Start (after process) (s)	End (before process) (s)	Maximum Time on the Same CPU (s)
►Node skylake+	1	4	1873.47
►Process 842971+		4	1873.47
○Thread 842971			1873.47	1875.12	99.91	0.00	0.00	1875.05
○Thread 843035			1859.32	1874.61	99.18	0.51	0.00	1874.60
○Thread 843036			1838.74	1874.61	98.09	0.51	0.00	1874.60
○Thread 843037			1836.37	1874.61	97.96	0.51	0.00	1874.60

▶Scalability - run_8_threads

Number processes: 1 Number nodes: 1 Run Command: <executable>MPI Command: Run Directory: /home/fmusial/MD_BenchmarksOMP_NUM_THREADS: 8OMP_PROC_BIND: closeOMP_SCHEDULE: staticOMP_PLACES: coresOMP_WAIT_POLICY: active

ID	Observed Processes	Observed Threads	Time(s)	Elapsed Time (s)	Active Time (%)	Start (after process) (s)	End (before process) (s)	Maximum Time on the Same CPU (s)
►Node skylake+	1	8	996.93
►Process 843137+		8	996.93
○Thread 843137			996.93	998.21	99.87	0.00	0.00	998.16
○Thread 843201			993.94	997.68	99.63	0.53	0.00	997.67
○Thread 843202			986.85	997.68	98.92	0.53	0.00	997.67
○Thread 843203			984.00	997.68	98.63	0.53	0.00	997.66
○Thread 843204			979.95	997.68	98.22	0.53	0.00	997.67
○Thread 843205			973.09	997.68	97.54	0.53	0.00	997.67
○Thread 843206			969.23	997.68	97.15	0.53	0.00	997.67
○Thread 843207			975.09	997.68	97.74	0.53	0.00	997.67

▶Scalability - run_16_threads

Number processes: 1 Number nodes: 1 Run Command: <executable>MPI Command: Run Directory: /home/fmusial/MD_BenchmarksOMP_NUM_THREADS: 16OMP_PROC_BIND: closeOMP_SCHEDULE: staticOMP_PLACES: coresOMP_WAIT_POLICY: active

ID	Observed Processes	Observed Threads	Time(s)	Elapsed Time (s)	Active Time (%)	Start (after process) (s)	End (before process) (s)	Maximum Time on the Same CPU (s)
►Node skylake+	1	16	516.99
►Process 843270+		16	516.99
○Thread 843270			516.99	517.89	99.82	0.00	0.00	517.83
○Thread 843334			516.02	517.38	99.74	0.51	0.00	517.37
○Thread 843335			515.07	517.38	99.55	0.51	0.00	517.37
○Thread 843336			513.73	517.38	99.29	0.51	0.00	517.37
○Thread 843337			512.90	517.38	99.13	0.51	0.00	517.37
○Thread 843338			511.27	517.38	98.82	0.51	0.00	517.36
○Thread 843339			509.03	517.38	98.39	0.51	0.00	517.36
○Thread 843340			511.33	517.38	98.83	0.51	0.00	517.37
○Thread 843341			510.02	517.38	98.58	0.51	0.00	517.37
○Thread 843342			506.82	517.38	97.96	0.51	0.00	517.37
○Thread 843343			505.91	517.38	97.78	0.51	0.00	517.37
○Thread 843344			506.74	517.38	97.94	0.51	0.00	517.37
○Thread 843345			502.41	517.38	97.11	0.51	0.00	517.37
○Thread 843346			500.05	517.38	96.65	0.51	0.00	517.37
○Thread 843347			501.32	517.38	96.89	0.51	0.00	517.37
○Thread 843348			500.13	517.38	96.67	0.51	0.00	517.37

▶Scalability - run_26_threads

Number processes: 1 Number nodes: 1 Run Command: <executable>MPI Command: Run Directory: /home/fmusial/MD_BenchmarksOMP_NUM_THREADS: 26OMP_PROC_BIND: closeOMP_SCHEDULE: staticOMP_PLACES: coresOMP_WAIT_POLICY: active

ID	Observed Processes	Observed Threads	Time(s)	Elapsed Time (s)	Active Time (%)	Start (after process) (s)	End (before process) (s)	Maximum Time on the Same CPU (s)
►Node skylake+	1	26	326.24
►Process 843397+		26	326.24
○Thread 843397			326.24	327.45	99.63	0.00	0.00	327.39
○Thread 843461			326.11	326.94	99.75	0.51	0.00	326.93
○Thread 843462			325.79	326.94	99.65	0.51	0.00	326.93
○Thread 843463			325.44	326.94	99.54	0.51	0.00	326.93
○Thread 843464			324.93	326.94	99.39	0.51	0.00	326.93
○Thread 843465			324.83	326.94	99.36	0.51	0.00	326.92
○Thread 843466			324.05	326.94	99.12	0.51	0.00	326.92
○Thread 843467			323.83	326.94	99.05	0.51	0.00	326.93
○Thread 843468			323.59	326.94	98.98	0.51	0.00	326.92
○Thread 843469			323.01	326.94	98.80	0.51	0.00	326.93
○Thread 843470			322.98	326.94	98.79	0.51	0.00	326.93
○Thread 843471			322.12	326.93	98.53	0.51	0.00	326.92
○Thread 843472			321.82	326.93	98.44	0.51	0.00	326.93
○Thread 843473			321.72	326.93	98.41	0.51	0.00	326.93
○Thread 843474			321.20	326.93	98.25	0.51	0.00	326.93
○Thread 843475			321.01	326.93	98.19	0.51	0.00	326.93
○Thread 843476			320.10	326.93	97.91	0.51	0.00	326.92
○Thread 843477			320.54	326.93	98.04	0.51	0.00	326.92
○Thread 843478			319.69	326.93	97.79	0.51	0.00	326.92
○Thread 843479			318.99	326.93	97.57	0.51	0.00	326.92
○Thread 843480			320.24	326.93	97.95	0.51	0.00	326.93
○Thread 843481			318.47	326.93	97.41	0.51	0.00	326.92
○Thread 843482			319.35	326.93	97.68	0.51	0.00	326.91
○Thread 843483			318.36	326.93	97.38	0.51	0.00	326.92
○Thread 843484			316.79	326.93	96.90	0.51	0.00	326.92
○Thread 843485			318.48	326.93	97.41	0.51	0.00	326.92

▶Scalability - run_52_threads

Number processes: 1 Number nodes: 1 Run Command: <executable>MPI Command: Run Directory: /home/fmusial/MD_BenchmarksOMP_NUM_THREADS: 52OMP_PROC_BIND: closeOMP_SCHEDULE: staticOMP_PLACES: coresOMP_WAIT_POLICY: active

ID	Observed Processes	Observed Threads	Time(s)	Elapsed Time (s)	Active Time (%)	Start (after process) (s)	End (before process) (s)	Maximum Time on the Same CPU (s)
►Node skylake+	1	52	171.01
►Process 843519+		52	171.01
○Thread 843519			170.48	172.04	99.09	0.00	0.00	171.98
○Thread 843583			171.01	171.53	99.70	0.51	0.00	171.52
○Thread 843584			170.94	171.53	99.65	0.51	0.00	171.51
○Thread 843585			170.98	171.53	99.68	0.51	0.00	171.51
○Thread 843586			170.93	171.53	99.65	0.51	0.00	171.51
○Thread 843587			170.78	171.53	99.56	0.51	0.00	171.51
○Thread 843588			170.74	171.53	99.54	0.51	0.00	171.52
○Thread 843589			170.66	171.53	99.49	0.51	0.00	171.52
○Thread 843590			170.63	171.53	99.48	0.51	0.00	171.51
○Thread 843591			170.54	171.53	99.42	0.51	0.00	171.51
○Thread 843592			170.51	171.53	99.41	0.51	0.00	171.51
○Thread 843593			170.37	171.53	99.32	0.51	0.00	171.51
○Thread 843594			170.18	171.53	99.22	0.51	0.00	171.51
○Thread 843595			170.11	171.53	99.17	0.51	0.00	171.51
○Thread 843596			170.07	171.53	99.15	0.51	0.00	171.51
○Thread 843597			170.06	171.53	99.14	0.51	0.00	171.51
○Thread 843598			170.03	171.53	99.13	0.51	0.00	171.52
○Thread 843599			169.90	171.53	99.05	0.51	0.00	171.51
○Thread 843600			169.67	171.53	98.92	0.51	0.00	171.52
○Thread 843601			169.73	171.53	98.95	0.51	0.00	171.51
○Thread 843602			169.53	171.53	98.83	0.51	0.00	171.51
○Thread 843603			169.61	171.53	98.88	0.51	0.00	171.51
○Thread 843604			169.61	171.53	98.88	0.51	0.00	171.51
○Thread 843605			169.28	171.53	98.69	0.51	0.00	171.52
○Thread 843606			169.39	171.53	98.76	0.51	0.00	171.51
○Thread 843607			169.46	171.53	98.79	0.51	0.00	171.51
○Thread 843608			169.27	171.53	98.69	0.51	0.00	171.51
○Thread 843609			168.98	171.53	98.52	0.51	0.00	171.51
○Thread 843610			168.91	171.53	98.48	0.51	0.00	171.52
○Thread 843611			168.91	171.53	98.48	0.51	0.00	171.51
○Thread 843612			168.75	171.53	98.38	0.51	0.00	171.51
○Thread 843613			169.06	171.53	98.56	0.51	0.00	171.51
○Thread 843614			168.69	171.53	98.35	0.51	0.00	171.51
○Thread 843615			168.68	171.53	98.34	0.51	0.00	171.51
○Thread 843616			168.44	171.53	98.20	0.52	0.00	171.51
○Thread 843617			168.43	171.53	98.20	0.52	0.00	171.51
○Thread 843618			168.16	171.53	98.04	0.52	0.00	171.51
○Thread 843619			168.25	171.53	98.09	0.52	0.00	171.51
○Thread 843620			168.34	171.52	98.14	0.52	0.00	171.51
○Thread 843621			168.19	171.52	98.06	0.52	0.00	171.51
○Thread 843622			167.92	171.52	97.90	0.52	0.00	171.51
○Thread 843623			167.78	171.52	97.82	0.52	0.00	171.51
○Thread 843624			167.89	171.52	97.88	0.52	0.00	171.52
○Thread 843625			167.62	171.52	97.72	0.52	0.00	171.51
○Thread 843626			167.76	171.52	97.80	0.52	0.00	171.51
○Thread 843627			167.62	171.52	97.72	0.52	0.00	171.51
○Thread 843628			167.40	171.52	97.59	0.52	0.00	171.51
○Thread 843629			167.67	171.52	97.75	0.52	0.00	171.51
○Thread 843630			167.07	171.52	97.40	0.52	0.00	171.51
○Thread 843631			167.32	171.52	97.55	0.52	0.00	171.51
○Thread 843632			167.15	171.52	97.45	0.52	0.00	171.51
○Thread 843633			167.00	171.52	97.36	0.52	0.00	171.52