OV - gmx - Topology

▼Scalability - 1x1

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 1

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	1	262.39
►Process 3252453+		1	262.39
○Thread 3252453			262.39

▶Scalability - 1x2

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 2

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	2	140.47
►Process 3253015+		2	140.47
○Thread 3253015			140.47
○Thread 3253272			139.92

▶Scalability - 1x4

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 4

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	4	73.83
►Process 3253422+		4	73.83
○Thread 3253422			73.83
○Thread 3253679			73.1
○Thread 3253680			73.14
○Thread 3253681			73.11

▶Scalability - 1x8

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 8

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	8	40.09
►Process 3253819+		8	40.09
○Thread 3253819			40.09
○Thread 3254078			39.31
○Thread 3254079			39.29
○Thread 3254080			39.31
○Thread 3254081			39.37
○Thread 3254082			39.37
○Thread 3254083			39.29
○Thread 3254084			39.33

▶Scalability - 1x16

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 16

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	16	22.92
►Process 3254151+		16	22.92
○Thread 3254151			22.92
○Thread 3254408			22.12
○Thread 3254409			22.13
○Thread 3254410			22.16
○Thread 3254411			22.15
○Thread 3254412			22.17
○Thread 3254413			22.14
○Thread 3254414			22.19
○Thread 3254415			22.17
○Thread 3254416			22.12
○Thread 3254417			22.15
○Thread 3254418			22.17
○Thread 3254419			22.15
○Thread 3254420			22.12
○Thread 3254421			22.17
○Thread 3254422			22.16

▶Scalability - 1x32

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 32

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	32	13.82
►Process 3254575+		32	13.82
○Thread 3254575			13.82
○Thread 3254833			13
○Thread 3254834			13.07
○Thread 3254835			13.07
○Thread 3254836			13.09
○Thread 3254837			13.08
○Thread 3254838			13.1
○Thread 3254839			13.05
○Thread 3254840			13.1
○Thread 3254841			13.09
○Thread 3254842			13.09
○Thread 3254843			13.05
○Thread 3254844			13.09
○Thread 3254845			13.12
○Thread 3254846			13.08
○Thread 3254847			13.12
○Thread 3254848			13.05
○Thread 3254849			13.1
○Thread 3254850			13.05
○Thread 3254851			13.06
○Thread 3254852			13.08
○Thread 3254853			13.06
○Thread 3254854			13.1
○Thread 3254855			13.08
○Thread 3254856			13.07
○Thread 3254857			13.08
○Thread 3254858			13.09
○Thread 3254859			13.08
○Thread 3254860			13.08
○Thread 3254861			13.08
○Thread 3254862			13.1
○Thread 3254863			13.09

▶Scalability - 1x64

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 64

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	64	10.51
►Process 3254932+		64	10.51
○Thread 3254932			10.51
○Thread 3255189			9.77
○Thread 3255190			9.82
○Thread 3255191			9.81
○Thread 3255192			9.79
○Thread 3255193			9.8
○Thread 3255194			9.76
○Thread 3255195			9.83
○Thread 3255196			9.82
○Thread 3255197			9.78
○Thread 3255198			9.8
○Thread 3255199			9.78
○Thread 3255200			9.77
○Thread 3255201			9.81
○Thread 3255202			9.81
○Thread 3255203			9.8
○Thread 3255204			9.82
○Thread 3255205			9.82
○Thread 3255206			9.83
○Thread 3255207			9.8
○Thread 3255208			9.84
○Thread 3255209			9.8
○Thread 3255210			9.78
○Thread 3255211			9.8
○Thread 3255212			9.83
○Thread 3255213			9.81
○Thread 3255214			9.81
○Thread 3255215			9.84
○Thread 3255216			9.81
○Thread 3255217			9.79
○Thread 3255218			9.81
○Thread 3255219			9.81
○Thread 3255220			9.8
○Thread 3255221			9.78
○Thread 3255222			9.81
○Thread 3255223			9.82
○Thread 3255224			9.81
○Thread 3255225			9.8
○Thread 3255226			9.83
○Thread 3255227			9.8
○Thread 3255228			9.8
○Thread 3255229			9.78
○Thread 3255230			9.75
○Thread 3255231			9.84
○Thread 3255232			9.83
○Thread 3255233			9.82
○Thread 3255234			9.78
○Thread 3255235			9.77
○Thread 3255236			9.83
○Thread 3255237			9.82
○Thread 3255238			9.8
○Thread 3255239			9.77
○Thread 3255240			9.76
○Thread 3255241			9.79
○Thread 3255242			9.82
○Thread 3255243			9.8
○Thread 3255244			9.81
○Thread 3255245			9.83
○Thread 3255246			9.8
○Thread 3255247			9.78
○Thread 3255248			9.75
○Thread 3255249			9.8
○Thread 3255250			9.83
○Thread 3255251			9.8

▶Scalability - 1x128

Number processes: 1 Number nodes: 1 Number processes per node: 1 Run Command: <executable> mdrun -s ion_channel.tpr -ntmpi 1 -nsteps 2000 -pin on -deffnm icxMPI Command: Run Directory: .OMP_NUM_THREADS: 128

ID	Observed Processes	Observed Threads	Time(s)
►Node inti6200+	1	128	13.54
►Process 3255315+		128	13.54
○Thread 3255315			13.54
○Thread 3255572			12.81
○Thread 3255573			12.79
○Thread 3255574			12.8
○Thread 3255575			12.8
○Thread 3255576			12.75
○Thread 3255577			12.82
○Thread 3255578			12.85
○Thread 3255579			12.82
○Thread 3255580			12.83
○Thread 3255581			12.79
○Thread 3255582			12.81
○Thread 3255583			12.75
○Thread 3255584			12.77
○Thread 3255585			12.81
○Thread 3255586			12.77
○Thread 3255587			12.87
○Thread 3255588			12.86
○Thread 3255589			12.82
○Thread 3255590			12.85
○Thread 3255591			12.79
○Thread 3255592			12.82
○Thread 3255593			12.81
○Thread 3255594			12.83
○Thread 3255595			12.83
○Thread 3255596			12.82
○Thread 3255597			12.77
○Thread 3255598			12.82
○Thread 3255599			12.85
○Thread 3255600			12.82
○Thread 3255601			12.86
○Thread 3255602			12.81
○Thread 3255603			12.89
○Thread 3255604			12.9
○Thread 3255605			12.89
○Thread 3255606			12.9
○Thread 3255607			12.91
○Thread 3255608			12.9
○Thread 3255609			12.86
○Thread 3255610			12.93
○Thread 3255611			12.88
○Thread 3255612			12.89
○Thread 3255613			12.88
○Thread 3255614			12.9
○Thread 3255615			12.87
○Thread 3255616			12.87
○Thread 3255617			12.89
○Thread 3255618			12.85
○Thread 3255619			12.86
○Thread 3255620			12.83
○Thread 3255621			12.84
○Thread 3255622			12.8
○Thread 3255623			12.86
○Thread 3255624			12.86
○Thread 3255625			12.87
○Thread 3255626			12.77
○Thread 3255627			12.87
○Thread 3255628			12.8
○Thread 3255629			12.85
○Thread 3255630			12.82
○Thread 3255631			12.84
○Thread 3255632			12.81
○Thread 3255633			12.75
○Thread 3255634			12.8
○Thread 3255635			12.91
○Thread 3255636			12.88
○Thread 3255637			12.88
○Thread 3255638			12.93
○Thread 3255639			12.91
○Thread 3255640			12.9
○Thread 3255641			12.92
○Thread 3255642			12.9
○Thread 3255643			12.94
○Thread 3255644			12.91
○Thread 3255645			12.92
○Thread 3255646			12.92
○Thread 3255647			12.93
○Thread 3255648			12.89
○Thread 3255649			12.92
○Thread 3255650			12.87
○Thread 3255651			12.91
○Thread 3255652			12.91
○Thread 3255653			12.92
○Thread 3255654			12.92
○Thread 3255655			12.89
○Thread 3255656			12.92
○Thread 3255657			12.87
○Thread 3255658			12.91
○Thread 3255659			12.91
○Thread 3255660			12.9
○Thread 3255661			12.9
○Thread 3255662			12.87
○Thread 3255663			12.88
○Thread 3255664			12.91
○Thread 3255665			12.9
○Thread 3255666			12.9
○Thread 3255667			12.89
○Thread 3255668			12.86
○Thread 3255669			12.92
○Thread 3255670			12.9
○Thread 3255671			12.83
○Thread 3255672			12.84
○Thread 3255673			12.93
○Thread 3255674			12.88
○Thread 3255675			12.91
○Thread 3255676			12.86
○Thread 3255677			12.86
○Thread 3255678			12.86
○Thread 3255679			12.84
○Thread 3255680			12.86
○Thread 3255681			12.87
○Thread 3255682			12.91
○Thread 3255683			12.91
○Thread 3255684			12.84
○Thread 3255685			12.81
○Thread 3255686			12.89
○Thread 3255687			12.92
○Thread 3255688			12.85
○Thread 3255689			12.82
○Thread 3255690			12.89
○Thread 3255691			12.88
○Thread 3255692			12.8
○Thread 3255693			12.84
○Thread 3255694			12.87
○Thread 3255695			12.91
○Thread 3255696			12.89
○Thread 3255697			12.86
○Thread 3255698			12.9

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