Dear,
I ran a simulation with 8X GTX 1080Ti GPU card, but I found the speed of 8XGPU is much slower that just 1XGPU:
With command: mpirun -np 8 pmemd.cuda.MPI ................, I found 8 threads with top command in linux, but with nvidia-smi, I found:
+-----------------------------------------------------------------------------+
| Processes: GPU Memory |
| GPU PID Type Process name Usage |
|=============================================================================|
| 0 10792 C /DATABAK/amber16/bin/pmemd.cuda.MPI 445MiB |
| 0 10793 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 0 10794 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 0 10795 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 1 10792 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 1 10793 C /DATABAK/amber16/bin/pmemd.cuda.MPI 445MiB |
| 1 10794 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 1 10795 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 2 10792 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 2 10793 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 2 10794 C /DATABAK/amber16/bin/pmemd.cuda.MPI 475MiB |
| 2 10795 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 3 10792 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 3 10793 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 3 10794 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 3 10795 C /DATABAK/amber16/bin/pmemd.cuda.MPI 475MiB |
| 4 10796 C /DATABAK/amber16/bin/pmemd.cuda.MPI 475MiB |
| 4 10797 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 4 10798 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 4 10799 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 5 10796 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 5 10797 C /DATABAK/amber16/bin/pmemd.cuda.MPI 475MiB |
| 5 10798 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 5 10799 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 6 10796 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 6 10797 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 6 10798 C /DATABAK/amber16/bin/pmemd.cuda.MPI 475MiB |
| 6 10799 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 7 10796 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 7 10797 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 7 10798 C /DATABAK/amber16/bin/pmemd.cuda.MPI 151MiB |
| 7 10799 C /DATABAK/amber16/bin/pmemd.cuda.MPI 475MiB |
+-----------------------------------------------------------------------------+
There are 32 threads for the same task. And for my test case it took almost 31 seconds for every 5000 steps. But if only one card was used, it just took just 6 seconds for every 5000 steps.
I have installed ompenmpit 3.0 on CENTOS 6.9 64 bit, and the system is 7048 GR-TR. How about this problem?
Thank you very much!
Dr. Sheng Wang
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Received on Sun Apr 29 2018 - 03:30:02 PDT
