HPC/Generation-2 nodes/vasp/vasp.lst

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Data

cores/app=4	Run=03	gen=1	nodes=1   ppn=8   napps=2  	tmax=2488.86 s	chargecores=8	charge=2.77 core-h/app	perf~=  10.0 ops/s/core
cores/app=4	run=01	gen=1	nodes=1   ppn=4   napps=1  	tmax=1138.83 s	chargecores=8	charge=2.53 core-h/app	perf~=  11.0 ops/s/core		**1 recommended for charge on gen1
cores/app=4	run=02	gen=2	nodes=1   ppn=4   napps=1  	tmax=516.69 s	chargecores=8	charge=1.15 core-h/app	perf~=  24.2 ops/s/core		*
cores/app=4	run=04	gen=2	nodes=1   ppn=8   napps=2  	tmax=767.26 s	chargecores=8	charge=0.85 core-h/app	perf~=  32.6 ops/s/core		**2
                
cores/app=6	run=13	gen=1	nodes=2   ppn=3   napps=1  	tmax=816.61 s	chargecores=16	charge=3.63 core-h/app	perf~=   7.7 ops/s/core
cores/app=6	run=11	gen=1	nodes=1   ppn=6   napps=1  	tmax=1566.07 s	chargecores=8	charge=3.48 core-h/app	perf~=   8.0 ops/s/core
cores/app=6	run=16	gen=1	nodes=2   ppn=6   napps=2  	tmax=1401.48 s	chargecores=16	charge=3.11 core-h/app	perf~=   8.9 ops/s/core
cores/app=6	run=14	gen=2	nodes=2   ppn=3   napps=1  	tmax=447.01 s	chargecores=16	charge=1.99 core-h/app	perf~=  14.0 ops/s/core		5% faster than run=12, but nearly 2x charge
cores/app=6	run=17	gen=2	nodes=2   ppn=6   napps=2  	tmax=587.55 s	chargecores=16	charge=1.31 core-h/app	perf~=  21.3 ops/s/core
cores/app=6	run=12	gen=2	nodes=1   ppn=6   napps=1  	tmax=470.10 s	chargecores=8	charge=1.04 core-h/app	perf~=  26.6 ops/s/core		*
cores/app=6	run=15	gen=2	nodes=1   ppn=12  napps=2  	tmax=867.12 s	chargecores=8	charge=0.96 core-h/app	perf~=  28.8 ops/s/core	HT
                
cores/app=8	run=23	gen=1	nodes=2   ppn=4   napps=1  	tmax=791.37 s	chargecores=16	charge=3.52 core-h/app	perf~=   7.9 ops/s/core
cores/app=8	run=26	gen=1	nodes=2   ppn=8   napps=2  	tmax=1494.81 s	chargecores=16	charge=3.32 core-h/app	perf~=   8.4 ops/s/core
cores/app=8	run=21	gen=1	nodes=1   ppn=8   napps=1  	tmax=1488.72 s	chargecores=8	charge=3.31 core-h/app	perf~=   8.4 ops/s/core		memory bandwidth congestion
cores/app=8	run=24	gen=2	nodes=2   ppn=4   napps=1  	tmax=426.55 s	chargecores=16	charge=1.90 core-h/app	perf~=  14.7 ops/s/core		10% faster than run=22, but nearly 2x charge
cores/app=8	run=27	gen=2	nodes=2   ppn=8   napps=2  	tmax=596.30 s	chargecores=16	charge=1.33 core-h/app	perf~=  21.0 ops/s/core
cores/app=8	run=22	gen=2	nodes=1   ppn=8   napps=1  	tmax=472.16 s	chargecores=8	charge=1.05 core-h/app	perf~=  26.5 ops/s/core		* recommended for charge on gen2
cores/app=8	run=25	gen=2	nodes=1   ppn=16  napps=2  	tmax=927.22 s	chargecores=8	charge=1.03 core-h/app	perf~=  27.0 ops/s/core	HT
                
cores/app=12	run=35	gen=1	nodes=4   ppn=3   napps=1  	tmax=503.05 s	chargecores=32	charge=4.47 core-h/app	perf~=   6.2 ops/s/core
cores/app=12	run=43	gen=1	nodes=4   ppn=6   napps=2  	tmax=838.51 s	chargecores=32	charge=3.73 core-h/app	perf~=   7.5 ops/s/core
cores/app=12	run=31	gen=1	nodes=2   ppn=6   napps=1  	tmax=838.08 s	chargecores=16	charge=3.72 core-h/app	perf~=   7.5 ops/s/core
cores/app=12	run=41	gen=1	nodes=3   ppn=8   napps=2  	tmax=1117.20 s	chargecores=24	charge=3.72 core-h/app	perf~=   7.5 ops/s/core
cores/app=12	run=33	gen=1	nodes=3   ppn=4   napps=1  	tmax=544.74 s	chargecores=24	charge=3.63 core-h/app	perf~=   7.6 ops/s/core		recommended for speed on gen1
cores/app=12	run=36	gen=2	nodes=4   ppn=3   napps=1  	tmax=267.81 s	chargecores=32	charge=2.38 core-h/app	perf~=  11.7 ops/s/core
cores/app=12	run=34	gen=2	nodes=3   ppn=4   napps=1  	tmax=270.06 s	chargecores=24	charge=1.80 core-h/app	perf~=  15.4 ops/s/core		*
cores/app=12	run=32	gen=2	nodes=2   ppn=6   napps=1  	tmax=330.88 s	chargecores=16	charge=1.47 core-h/app	perf~=  18.9 ops/s/core	
cores/app=12	run=44	gen=2	nodes=4   ppn=6   napps=2  	tmax=321.16 s	chargecores=32	charge=1.43 core-h/app	perf~=  19.5 ops/s/core
cores/app=12	run=40	gen=2	nodes=2   ppn=12  napps=2  	tmax=582.08 s	chargecores=16	charge=1.29 core-h/app	perf~=  21.5 ops/s/core	HT
cores/app=12	run=42	gen=2	nodes=3   ppn=8   napps=2  	tmax=383.44 s	chargecores=24	charge=1.28 core-h/app	perf~=  21.7 ops/s/core
cores/app=12	run=30	gen=2	nodes=1   ppn=12  napps=1  	tmax=565.44 s	chargecores=8	charge=1.26 core-h/app	perf~=  22.1 ops/s/core	HT
                
cores/app=16	run=56	gen=1	nodes=4   ppn=8   napps=2  	tmax=1626.13 s	chargecores=32	charge=7.23 core-h/app	perf~=   3.8 ops/s/core
cores/app=16	run=53	gen=1	nodes=4   ppn=4   napps=1  	tmax=522.50 s	chargecores=32	charge=4.64 core-h/app	perf~=   6.0 ops/s/core
cores/app=16	run=51	gen=1	nodes=2   ppn=8   napps=1  	tmax=998.73 s	chargecores=16	charge=4.44 core-h/app	perf~=   6.3 ops/s/core		ref16 (bad parallel scaling compared to ref8)
cores/app=16	run=54	gen=2	nodes=4   ppn=4   napps=1  	tmax=237.59 s	chargecores=32	charge=2.11 core-h/app	perf~=  13.2 ops/s/core		fastest, fairly expensive
cores/app=16	run=52	gen=2	nodes=2   ppn=8   napps=1  	tmax=329.10 s	chargecores=16	charge=1.46 core-h/app	perf~=  19.0 ops/s/core		* recommended for speed on gen2
cores/app=16	run=57	gen=2	nodes=4   ppn=8   napps=2  	tmax=327.90 s	chargecores=32	charge=1.46 core-h/app	perf~=  19.1 ops/s/core
cores/app=16	run=55	gen=2	nodes=2   ppn=16  napps=2  	tmax=601.78 s	chargecores=16	charge=1.34 core-h/app	perf~=  20.8 ops/s/core	HT
cores/app=16	run=50	gen=2	nodes=1   ppn=16  napps=1  	tmax=592.26 s	chargecores=8	charge=1.32 core-h/app	perf~=  21.1 ops/s/core	HT
* = good time and charge for single-app
**1 = highest gen1 performance
**2 = highest gen2 performance

Node distribution check

==> run-01-01-04-gen1-1-1of1/run.out <==          
 Data for node: Name: n100      Num procs: 4      
 running on    4 nodes                            
real 1138.83                                      

==> run-02-01-04-gen2-1-1of1/run.out <==          
 Data for node: Name: n296      Num procs: 4      
 running on    4 nodes                            
real 516.69                                       

==> run-03-01-08-gen1-2-1of2/run.out <==          	==> run-03-01-08-gen1-2-2of2/run.out <==          
 Data for node: Name: n099      Num procs: 4      	 Data for node: Name: n099      Num procs: 4      
 running on    4 nodes                            	 running on    4 nodes                            
real 2488.87                                      	real 2485.12                                      

==> run-04-01-08-gen2-2-1of2/run.out <==          	==> run-04-01-08-gen2-2-2of2/run.out <==          
 Data for node: Name: n295      Num procs: 4      	 Data for node: Name: n295      Num procs: 4      
 running on    4 nodes                            	 running on    4 nodes                            
real 767.27                                       	real 766.35                                       

==> run-11-01-06-gen1-1-1of1/run.out <==          
 Data for node: Name: n096      Num procs: 6      
 running on    6 nodes                            
real 1566.07                                      

==> run-12-01-06-gen2-1-1of1/run.out <==          
 Data for node: Name: n294      Num procs: 6      
 running on    6 nodes                            
real 470.10                                       

==> run-13-02-03-gen1-1-1of1/run.out <==          
 Data for node: Name: n091      Num procs: 3      
 Data for node: Name: n088      Num procs: 3      
 running on    6 nodes                            
real 816.61                                       

==> run-14-02-03-gen2-1-1of1/run.out <==          
 Data for node: Name: n293      Num procs: 3      
 Data for node: Name: n292      Num procs: 3      
 running on    6 nodes                            
real 447.00                                       

==> run-15-01-12-gen2-2-1of2/run.out <==          	==> run-15-01-12-gen2-2-2of2/run.out <==          
 Data for node: Name: n291      Num procs: 6      	 Data for node: Name: n291      Num procs: 6      
 running on    6 nodes                            	 running on    6 nodes                            
real 860.09                                       	real 867.11                                       

==> run-16-02-06-gen1-2-1of2/run.out <==          	==> run-16-02-06-gen1-2-2of2/run.out <==          
 Data for node: Name: n087      Num procs: 3      	 Data for node: Name: n087      Num procs: 3      
 Data for node: Name: n084      Num procs: 3      	 Data for node: Name: n084      Num procs: 3      
 running on    6 nodes                            	 running on    6 nodes                            
real 1395.54                                      	real 1401.48                                      

==> run-17-02-06-gen2-2-1of2/run.out <==          	==> run-17-02-06-gen2-2-2of2/run.out <==          
 Data for node: Name: n290      Num procs: 3      	 Data for node: Name: n290      Num procs: 3      
 Data for node: Name: n289      Num procs: 3      	 Data for node: Name: n289      Num procs: 3      
 running on    6 nodes                            	 running on    6 nodes                            
real 587.47                                       	real 587.55                                       

==> run-21-01-08-gen1-1-1of1/run.out <==          
 Data for node: Name: n083      Num procs: 8      
 running on    8 nodes                            
real 1488.72                                      

==> run-22-01-08-gen2-1-1of1/run.out <==          
 Data for node: Name: n288      Num procs: 8      
 running on    8 nodes                            
real 472.16                                       

==> run-23-02-04-gen1-1-1of1/run.out <==          
 Data for node: Name: n082      Num procs: 4      
 Data for node: Name: n068      Num procs: 4      
 running on    8 nodes                            
real 791.37                                       

==> run-24-02-04-gen2-1-1of1/run.out <==          
 Data for node: Name: n287      Num procs: 4      
 Data for node: Name: n286      Num procs: 4      
 running on    8 nodes                            
real 426.54                                       

==> run-25-01-16-gen2-2-1of2/run.out <==          	==> run-25-01-16-gen2-2-2of2/run.out <==          
 Data for node: Name: n285      Num procs: 8      	 Data for node: Name: n285      Num procs: 8      
 running on    8 nodes                            	 running on    8 nodes                            
real 927.22                                       	real 926.61                                       

==> run-26-02-08-gen1-2-1of2/run.out <==          	==> run-26-02-08-gen1-2-2of2/run.out <==          
 Data for node: Name: n067      Num procs: 4      	 Data for node: Name: n067      Num procs: 4      
 Data for node: Name: n066      Num procs: 4      	 Data for node: Name: n066      Num procs: 4      
 running on    8 nodes                            	 running on    8 nodes                            
real 1492.45                                      	real 1494.62                                      

==> run-27-02-08-gen2-2-1of2/run.out <==          	==> run-27-02-08-gen2-2-2of2/run.out <==          
 Data for node: Name: n276      Num procs: 4      	 Data for node: Name: n276      Num procs: 4      
 Data for node: Name: n275      Num procs: 4      	 Data for node: Name: n275      Num procs: 4      
 running on    8 nodes                            	 running on    8 nodes                            
real 592.01                                       	real 596.30                                       

==> run-30-01-12-gen2-1-1of1/run.out <==          
 Data for node: Name: n274      Num procs: 12     
 running on   12 nodes                            
real 565.44                                       

==> run-31-02-06-gen1-1-1of1/run.out <==          
 Data for node: Name: n065      Num procs: 6      
 Data for node: Name: n053      Num procs: 6      
 running on   12 nodes                            
real 838.08                                       

==> run-32-02-06-gen2-1-1of1/run.out <==          
 Data for node: Name: n273      Num procs: 6      
 Data for node: Name: n272      Num procs: 6      
 running on   12 nodes                            
real 330.87                                       

==> run-33-03-04-gen1-1-1of1/run.out <==          
 Data for node: Name: n052      Num procs: 4      
 Data for node: Name: n051      Num procs: 4      
 Data for node: Name: n045      Num procs: 4      
 running on   12 nodes                            
real 544.74                                       

==> run-34-03-04-gen2-1-1of1/run.out <==          
 Data for node: Name: n271      Num procs: 4      
 Data for node: Name: n270      Num procs: 4      
 Data for node: Name: n269      Num procs: 4      
 running on   12 nodes                            
real 270.06                                       

==> run-35-04-03-gen1-1-1of1/run.out <==          
 Data for node: Name: n044      Num procs: 3      
 Data for node: Name: n043      Num procs: 3      
 Data for node: Name: n042      Num procs: 3      
 Data for node: Name: n041      Num procs: 3      
 running on   12 nodes                            
real 503.05                                       

==> run-36-04-03-gen2-1-1of1/run.out <==          
 Data for node: Name: n268      Num procs: 3      
 Data for node: Name: n267      Num procs: 3      
 Data for node: Name: n262      Num procs: 3      
 Data for node: Name: n261      Num procs: 3      
 running on   12 nodes                            
real 267.81                                       

==> run-40-02-12-gen2-2-1of2/run.out <==          	==> run-40-02-12-gen2-2-2of2/run.out <==          
 Data for node: Name: n259      Num procs: 6      	 Data for node: Name: n259      Num procs: 6      
 Data for node: Name: n258      Num procs: 6      	 Data for node: Name: n258      Num procs: 6      
 running on   12 nodes                            	 running on   12 nodes                            
real 582.09                                       	real 579.76                                       

==> run-41-03-08-gen1-2-1of2/run.out <==          	==> run-41-03-08-gen1-2-2of2/run.out <==          
 Data for node: Name: n040      Num procs: 4      	 Data for node: Name: n040      Num procs: 4      
 Data for node: Name: n039      Num procs: 4      	 Data for node: Name: n039      Num procs: 4      
 Data for node: Name: n038      Num procs: 4      	 Data for node: Name: n038      Num procs: 4      
 running on   12 nodes                            	 running on   12 nodes                            
real 1116.53                                      	real 1117.20                                      

==> run-42-03-08-gen2-2-1of2/run.out <==          	==> run-42-03-08-gen2-2-2of2/run.out <==          
 Data for node: Name: n257      Num procs: 4      	 Data for node: Name: n257      Num procs: 4      
 Data for node: Name: n256      Num procs: 4      	 Data for node: Name: n256      Num procs: 4      
 Data for node: Name: n255      Num procs: 4      	 Data for node: Name: n255      Num procs: 4      
 running on   12 nodes                            	 running on   12 nodes                            
real 379.16                                       	real 383.43                                       

==> run-43-04-06-gen1-2-1of2/run.out <==          	==> run-43-04-06-gen1-2-2of2/run.out <==          
 Data for node: Name: n037      Num procs: 3      	 Data for node: Name: n037      Num procs: 3      
 Data for node: Name: n036      Num procs: 3      	 Data for node: Name: n036      Num procs: 3      
 Data for node: Name: n035      Num procs: 3      	 Data for node: Name: n035      Num procs: 3      
 Data for node: Name: n034      Num procs: 3      	 Data for node: Name: n034      Num procs: 3      
 running on   12 nodes                            	 running on   12 nodes                            
real 838.51                                       	real 831.99                                       

==> run-44-04-06-gen2-2-1of2/run.out <==          	==> run-44-04-06-gen2-2-2of2/run.out <==          
 Data for node: Name: n254      Num procs: 3      	 Data for node: Name: n254      Num procs: 3      
 Data for node: Name: n252      Num procs: 3      	 Data for node: Name: n252      Num procs: 3      
 Data for node: Name: n251      Num procs: 3      	 Data for node: Name: n251      Num procs: 3      
 Data for node: Name: n250      Num procs: 3      	 Data for node: Name: n250      Num procs: 3      
 running on   12 nodes                            	 running on   12 nodes                            
real 321.17                                       	real 313.17                                       

==> run-50-01-16-gen2-1-1of1/run.out <==          
 Data for node: Name: n249      Num procs: 16     
 running on   16 nodes                            
real 592.26                                       

==> run-51-02-08-gen1-1-1of1/run.out <==          
 Data for node: Name: n033      Num procs: 8      
 Data for node: Name: n032      Num procs: 8      
 running on   16 nodes                            
real 998.72                                       

==> run-52-02-08-gen2-1-1of1/run.out <==          
 Data for node: Name: n248      Num procs: 8      
 Data for node: Name: n247      Num procs: 8      
 running on   16 nodes                            
real 329.10                                       

==> run-53-04-04-gen1-1-1of1/run.out <==          
 Data for node: Name: n030      Num procs: 4      
 Data for node: Name: n023      Num procs: 4      
 Data for node: Name: n022      Num procs: 4      
 Data for node: Name: n021      Num procs: 4      
 running on   16 nodes                            
real 522.50                                       

==> run-54-04-04-gen2-1-1of1/run.out <==          
 Data for node: Name: n246      Num procs: 4      
 Data for node: Name: n245      Num procs: 4      
 Data for node: Name: n243      Num procs: 4      
 Data for node: Name: n242      Num procs: 4      
 running on   16 nodes                            
real 237.58                                       

==> run-55-02-16-gen2-2-1of2/run.out <==          	==> run-55-02-16-gen2-2-2of2/run.out <==          
 Data for node: Name: n241      Num procs: 8      	 Data for node: Name: n241      Num procs: 8      
 Data for node: Name: n240      Num procs: 8      	 Data for node: Name: n240      Num procs: 8      
 running on   16 nodes                            	 running on   16 nodes                            
real 601.01                                       	real 601.78                                       

==> run-56-04-08-gen1-2-1of2/run.out <==          	==> run-56-04-08-gen1-2-2of2/run.out <==          
 Data for node: Name: n018      Num procs: 4      	 Data for node: Name: n018      Num procs: 4      
 Data for node: Name: n017      Num procs: 4      	 Data for node: Name: n017      Num procs: 4      
 Data for node: Name: n016      Num procs: 4      	 Data for node: Name: n016      Num procs: 4      
 Data for node: Name: n015      Num procs: 4      	 Data for node: Name: n015      Num procs: 4      
 running on   16 nodes                            	 running on   16 nodes                            
real 1624.13                                      	real 1626.13                                      

==> run-57-04-08-gen2-2-1of2/run.out <==          	==> run-57-04-08-gen2-2-2of2/run.out <==          
 Data for node: Name: n239      Num procs: 4      	 Data for node: Name: n239      Num procs: 4      
 Data for node: Name: n238      Num procs: 4      	 Data for node: Name: n238      Num procs: 4      
 Data for node: Name: n237      Num procs: 4      	 Data for node: Name: n237      Num procs: 4      
 Data for node: Name: n236      Num procs: 4      	 Data for node: Name: n236      Num procs: 4      
 running on   16 nodes                            	 running on   16 nodes                            
real 327.90                                       	real 327.64