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	3396.18
►Process 840056+		2	3396.18
○Thread 840056			3395.23	3397.59	99.93	0.00	0.00	3397.57
○Thread 840115			3396.18	3397.52	99.96	0.07	-0.00	3397.52

▶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	1907.68
►Process 841173+		4	1907.68
○Thread 841173			1905.87	1907.80	99.90	0.00	0.00	1907.75
○Thread 841232			1907.48	1907.73	99.99	0.07	0.00	1907.71
○Thread 841233			1907.68	1907.73	100.00	0.07	0.00	1907.72
○Thread 841234			1907.66	1907.73	100.00	0.07	-0.00	1907.72

▶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	1014.48
►Process 841337+		8	1014.48
○Thread 841337			1013.38	1014.57	99.88	0.00	0.00	1014.53
○Thread 841396			1014.39	1014.50	99.99	0.07	0.00	1014.48
○Thread 841397			1014.47	1014.50	100.00	0.07	-0.00	1014.48
○Thread 841398			1014.48	1014.50	100.00	0.07	-0.00	1014.48
○Thread 841399			1014.47	1014.50	100.00	0.07	-0.00	1014.48
○Thread 841400			1014.44	1014.50	99.99	0.07	-0.00	1014.48
○Thread 841401			1014.37	1014.50	99.99	0.07	0.00	1014.48
○Thread 841402			1014.46	1014.50	100.00	0.07	-0.00	1014.48

▶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	525.41
►Process 841463+		16	525.41
○Thread 841463			524.87	525.50	99.88	0.00	0.00	525.48
○Thread 841522			525.22	525.42	99.96	0.08	-0.00	525.41
○Thread 841523			525.39	525.42	99.99	0.08	-0.00	525.41
○Thread 841524			525.41	525.42	100.00	0.08	-0.00	525.41
○Thread 841525			525.41	525.42	100.00	0.08	-0.00	525.41
○Thread 841526			525.37	525.42	99.99	0.08	-0.00	525.41
○Thread 841527			525.39	525.42	99.99	0.08	-0.00	525.41
○Thread 841528			525.40	525.42	100.00	0.08	-0.00	525.41
○Thread 841529			525.41	525.42	100.00	0.08	-0.00	525.41
○Thread 841530			525.41	525.42	100.00	0.08	-0.00	525.41
○Thread 841531			525.40	525.42	100.00	0.08	-0.00	525.41
○Thread 841532			525.41	525.42	100.00	0.08	-0.00	525.41
○Thread 841533			525.40	525.42	100.00	0.08	-0.00	525.41
○Thread 841534			525.40	525.42	100.00	0.08	-0.00	525.41
○Thread 841535			525.40	525.42	100.00	0.08	0.00	525.41
○Thread 841536			525.40	525.42	100.00	0.08	-0.00	525.41

▶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	331.09
►Process 841587+		26	331.09
○Thread 841587			330.28	331.20	99.72	0.00	0.00	331.15
○Thread 841646			330.96	331.13	99.95	0.07	-0.00	331.12
○Thread 841647			331.07	331.13	99.98	0.07	-0.00	331.12
○Thread 841648			331.07	331.13	99.98	0.07	-0.00	331.12
○Thread 841649			331.08	331.13	99.98	0.07	-0.00	331.12
○Thread 841650			331.04	331.13	99.97	0.07	-0.00	331.12
○Thread 841651			331.02	331.13	99.97	0.07	-0.00	331.12
○Thread 841652			331.09	331.13	99.99	0.07	-0.00	331.12
○Thread 841653			331.05	331.13	99.98	0.07	-0.00	331.12
○Thread 841654			331.05	331.13	99.98	0.07	-0.00	331.12
○Thread 841655			331.06	331.13	99.98	0.07	-0.00	331.12
○Thread 841656			331.08	331.13	99.98	0.07	-0.00	331.12
○Thread 841657			331.05	331.13	99.97	0.07	-0.00	331.12
○Thread 841658			331.02	331.13	99.97	0.07	-0.00	331.12
○Thread 841659			331.06	331.13	99.98	0.07	-0.00	331.12
○Thread 841660			331.06	331.13	99.98	0.07	-0.00	331.12
○Thread 841661			331.04	331.13	99.98	0.07	-0.00	331.12
○Thread 841662			331.09	331.13	99.99	0.07	-0.00	331.12
○Thread 841663			331.09	331.13	99.99	0.07	-0.00	331.12
○Thread 841664			331.09	331.13	99.99	0.07	-0.00	331.12
○Thread 841665			331.08	331.13	99.98	0.07	-0.00	331.12
○Thread 841666			331.08	331.13	99.98	0.07	-0.00	331.12
○Thread 841667			331.09	331.13	99.99	0.07	-0.00	331.12
○Thread 841668			331.09	331.13	99.99	0.07	-0.00	331.12
○Thread 841669			331.08	331.13	99.99	0.07	-0.00	331.12
○Thread 841670			331.09	331.13	99.99	0.07	-0.00	331.12

▶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	173.49
►Process 841702+		52	173.49
○Thread 841702			172.25	173.59	99.23	0.00	0.00	173.56
○Thread 841761			173.40	173.52	99.94	0.07	-0.00	173.51
○Thread 841762			173.46	173.52	99.97	0.07	-0.00	173.51
○Thread 841763			173.46	173.52	99.96	0.07	-0.00	173.51
○Thread 841764			173.47	173.52	99.98	0.07	-0.00	173.51
○Thread 841765			173.45	173.52	99.96	0.07	-0.00	173.51
○Thread 841766			173.46	173.52	99.97	0.07	0.00	173.51
○Thread 841767			173.46	173.52	99.97	0.07	-0.00	173.51
○Thread 841768			173.46	173.52	99.97	0.07	-0.00	173.51
○Thread 841769			173.47	173.52	99.97	0.07	-0.00	173.51
○Thread 841770			173.48	173.51	99.98	0.07	-0.00	173.51
○Thread 841771			173.44	173.51	99.96	0.07	-0.00	173.51
○Thread 841772			173.47	173.51	99.97	0.07	-0.00	173.51
○Thread 841773			173.47	173.51	99.97	0.07	-0.00	173.51
○Thread 841774			173.46	173.51	99.97	0.07	-0.00	173.51
○Thread 841775			173.46	173.51	99.97	0.07	-0.00	173.51
○Thread 841776			173.46	173.51	99.97	0.07	-0.00	173.51
○Thread 841777			173.44	173.51	99.96	0.08	-0.00	173.50
○Thread 841778			173.46	173.51	99.97	0.08	-0.00	173.51
○Thread 841779			173.44	173.51	99.96	0.08	-0.00	173.51
○Thread 841780			173.47	173.51	99.97	0.08	-0.00	173.50
○Thread 841781			173.46	173.51	99.97	0.08	-0.00	173.51
○Thread 841782			173.48	173.51	99.98	0.08	-0.00	173.51
○Thread 841783			173.46	173.51	99.97	0.08	-0.00	173.51
○Thread 841784			173.45	173.51	99.96	0.08	-0.00	173.51
○Thread 841785			173.44	173.51	99.96	0.08	-0.00	173.51
○Thread 841786			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841787			173.48	173.51	99.98	0.08	-0.00	173.51
○Thread 841788			173.47	173.51	99.98	0.08	0.00	173.51
○Thread 841789			173.46	173.51	99.97	0.08	0.00	173.51
○Thread 841790			173.48	173.51	99.98	0.08	0.00	173.50
○Thread 841791			173.45	173.51	99.97	0.08	-0.00	173.51
○Thread 841792			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841793			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841794			173.49	173.51	99.99	0.08	-0.00	173.51
○Thread 841795			173.48	173.51	99.98	0.08	0.00	173.51
○Thread 841796			173.48	173.51	99.99	0.08	-0.00	173.50
○Thread 841797			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841798			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841799			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841800			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841801			173.48	173.51	99.99	0.08	-0.00	173.50
○Thread 841802			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841803			173.49	173.51	99.99	0.08	-0.00	173.50
○Thread 841804			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841805			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841806			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841807			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841808			173.47	173.51	99.98	0.08	-0.00	173.50
○Thread 841809			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841810			173.48	173.51	99.98	0.08	-0.00	173.50
○Thread 841811			173.47	173.51	99.98	0.08	-0.00	173.50