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cluster:111 [2013/02/02 16:05]
hmeij 		cluster:111 [2013/02/04 19:28] (current)
hmeij [Results]
Line 34: Line 34:
 |  12.87  |  80.50  |  88.76  |  103.09  |  122.45  |  ns/day  | |  12.87  |  80.50  |  88.76  |  103.09  |  122.45  |  ns/day  |
 |  6713.99  |  1073.23  |  973.45  |  838.09  |  705.61  |  seconds/ns  | |  6713.99  |  1073.23  |  973.45  |  838.09  |  705.61  |  seconds/ns  |
- 
 |FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME|||||| |FACTOR_IX_PRODUCTION_NVE - 90,906 atoms PME||||||
 |  16 cpu cores  | 1xK20  |  2xK20   |  3xK20  | 4xK20  |  measure  | |  16 cpu cores  | 1xK20  |  2xK20   |  3xK20  | 4xK20  |  measure  |
 |  3.95  |  22.25  |  27.47  |  32.56   |  39.52   |  ns/day  | |  3.95  |  22.25  |  27.47  |  32.56   |  39.52   |  ns/day  |
 |  21865.59  |  3883.38  |  3145.32  |  2653.65  |  2186.28  |  seconds/ns  | |  21865.59  |  3883.38  |  3145.32  |  2653.65  |  2186.28  |  seconds/ns  |
 +|CELLULOSE_PRODUCTION_NVE - 408,609 atoms PME||||||
 +|  16 cpu cores  | 1xK20  |  2xK20   |  3xK20  | 4xK20  |  measure  |
 +|  0.91   |  5.40  |  6.44  |  7.51   |   8.85  |  ns/day  |
 +|  95235.87  |  15986.42  |  13406.15  |  11509.28  |  9768.23   |  seconds/ns  |
 +|NUCLEOSOME_PRODUCTION - 25,095 atoms GB||||||
 +|  16 cpu cores  | 1xK20  |  2xK20   |  3xK20  | 4xK20  |  measure  |
 +|  0.06   |  2.79  |  3.65  |  3.98   |  ???   |  ns/day  |
 +|  1478614.67  |  31007.58  |  23694.29  |  21724.33  |  ???   |  seconds/ns  |
  
  
 +  * 5-6x performance speed ups using one GPU versus 16 CPU cores 
 +  * 9-10x perrformance speedups using four GPUs versus 16 CPU cores
  
  
Line 113: Line 121:
 <code> <code>
  
-echo $i +[TestDriveUser0@K20-WS]$ cat run
-mpirun --machinefile=nodefile$i -np $i pmemd.cuda.MPI -O -i inp/mini.in -p 1g6r.cd.parm \ +
- -c 1g6r.cd.randions.crd.1 -ref 1g6r.cd.randions.crd.1 2>&1 +
-cp mdout ${i}gpu.parallel.log  +
-done +
- +
-[TestDriveUser0@K20-WS ec]$  +
-[TestDriveUser0@K20-WS ec]$ w +
- 06:50:20 up 2 days, 12:51,  3 users,  load average: 1.73, 0.96, 1.31 +
-USER     TTY      FROM              LOGIN@   IDLE   JCPU   PCPU WHAT +
-TestDriv pts/0    engineering-pc.e Thu09   20:01m  0.08s  0.52s sshd: TestDriveUser [priv] +
-TestDriv pts/1    greentail.wesley 05:31    4:50   2:38   0.00s /bin/bash ./run +
-TestDriv pts/2    hmeij.its.wesley 05:31    0.00s  0.19s  0.01s w +
-[TestDriveUser0@K20-WS ec]$ uptime +
- 06:50:43 up 2 days, 12:51,  3 users,  load average: 1.82, 1.05, 1.33 +
-[TestDriveUser0@K20-WS ec]$  +
-[TestDriveUser0@K20-WS ec]$  +
-[TestDriveUser0@K20-WS ec]$  +
-[TestDriveUser0@K20-WS ec]$  +
-[TestDriveUser0@K20-WS ec]$ cat run+
 #!/bin/bash #!/bin/bash
 rm -rf err out logfile mdout restrt mdinfo rm -rf err out logfile mdout restrt mdinfo
cluster/111.1359821134.txt.gz · Last modified: 2013/02/02 16:05 by hmeij

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