Hi,
I am testing my recently installed amber16 which I built as pmemd.cuda.MPI
the intallation was successful (no FAILURE in make test.cuda_parallel).
Next I submitted a test job as:
*export CUDA_VISIBLE_DEVICE=0,1,2,3mpirun -np 4 pmemd.cuda_SPFP.MPI -O -i
prod1.in <
http://prod1.in> -p protein.prmtop -c eq3.rst -r prod1.rst -o
prod1.out -x prod1.nc <
http://prod1.nc>*
Using nvidia-smi, I checked that I can access all 4 GPUs in parallel,
however, I am surprised by GPU-utility. Why each GPU is used only ~50%.
I previosly had speed of 44 ns/day using a single K80 GPU. However, using
these 4 parallel GPUs, I only get speed of 66 ns/day. What is wrong ?
Below is the output of "nvidia-smi"
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 367.57 Driver Version:
367.57 |
|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute
M. |
|===============================+======================+======================|
| 0 GeForce GTX 1080 Off | 0000:02:00.0 On |
N/A |
| 52% 72C P2 80W / 180W | 744MiB / 8111MiB | 51%
Default |
+-------------------------------+----------------------+----------------------+
| 1 GeForce GTX 1080 Off | 0000:03:00.0 Off |
N/A |
| 51% 74C P2 72W / 180W | 525MiB / 8113MiB | 42%
Default |
+-------------------------------+----------------------+----------------------+
| 2 GeForce GTX 1080 Off | 0000:82:00.0 Off |
N/A |
| 47% 71C P2 71W / 180W | 525MiB / 8113MiB | 44%
Default |
+-------------------------------+----------------------+----------------------+
| 3 GeForce GTX 1080 Off | 0000:83:00.0 Off |
N/A |
| 51% 73C P2 73W / 180W | 525MiB / 8113MiB | 43%
Default |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Processes: GPU
Memory |
| GPU PID Type Process name
Usage |
|=============================================================================|
| 0 3020 G /usr/lib/xorg/Xorg
168MiB |
| 0 3566 G compiz
73MiB |
| 0 10231 C pmemd.cuda_SPFP.MPI
387MiB |
| 0 10232 C pmemd.cuda_SPFP.MPI
111MiB |
| 1 10231 C pmemd.cuda_SPFP.MPI
111MiB |
| 1 10232 C pmemd.cuda_SPFP.MPI
411MiB |
| 2 10233 C pmemd.cuda_SPFP.MPI
411MiB |
| 2 10234 C pmemd.cuda_SPFP.MPI
111MiB |
| 3 10233 C pmemd.cuda_SPFP.MPI
111MiB |
| 3 10234 C pmemd.cuda_SPFP.MPI
411MiB |
+-----------------------------------------------------------------------------+
Thanks,
Hirdesh
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Received on Fri Jan 27 2017 - 13:30:02 PST
