Dear all,
Recently, I employed multiple GPUs in a single simulation using pmemd.cuda.MPI.
Part of my submitting task script:
#!/bin/sh
export CUDA_VISIBLE_DEVICES="0,1"
.........
mpirun -np 2 $AMBERHOME/bin/pmemd.cuda.MPI -i md.in -c heat.rst7 -p complex_dc.parm7 -O -o md001.out -inf md001.info -r md001.rst7 -x md001.nc -l md001.log </dev/null
I got the message by nvidia-smi command:
+-----------------------------------------------------------------------------+
| NVIDIA-SMI 367.48 Driver Version: 367.48 |
|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr. ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute M. |
|===============================+======================+======================|
| 0 Tesla K80 Off | 0000:0F:00.0 Off | 0 |
| N/A 42C P0 116W / 149W | 1259MiB / 11439MiB | 63% Default |
+-------------------------------+----------------------+----------------------+
| 1 Tesla K80 Off | 0000:10:00.0 Off | 0 |
| N/A 58C P0 145W / 149W | 935MiB / 11439MiB | 99% Default |
+-------------------------------+----------------------+----------------------+
| 2 Tesla K80 Off | 0000:17:00.0 Off | 0 |
| N/A 29C P8 26W / 149W | 2MiB / 11439MiB | 0% Default |
+-------------------------------+----------------------+----------------------+
| 3 Tesla K80 Off | 0000:18:00.0 Off | 0 |
| N/A 28C P8 29W / 149W | 2MiB / 11439MiB | 0% Default |
+-------------------------------+----------------------+----------------------+
+-----------------------------------------------------------------------------+
| Processes: GPU Memory |
| GPU PID Type Process name Usage |
|=============================================================================|
| 0 30442 C .../software/amber16/bin/pmemd.cuda.MPI 1194MiB |
| 0 30443 C .../software/amber16/bin/pmemd.cuda.MPI 61MiB |
| 1 30442 C .../software/amber16/bin/pmemd.cuda.MPI 61MiB |
| 1 30443 C .../software/amber16/bin/pmemd.cuda.MPI 870MiB |
+-----------------------------------------------------------------------------+
I did not understand why the GPU 0 had the two tasks displayed as above and so did the GPU 1.
And why did the GPU 0 and the GPU 1 have the same task PID:30442, 30443 ?
Best,
Pengfei Li
--
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Pengfei Li
Email:lipengfei_mail.126.com
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Received on Thu Nov 03 2016 - 20:30:03 PDT
