[gmx-users] volatile gpu-util

[leila karami]

Dear gromacs users,

I am running CG MD simulation on a Rocks cluster using the following
command:

gmx_mpi mdrun -nb gpu -v -deffnm gpu_md -ntomp 16 -gpu_id 0>& md.job &

I tried the different value for the -ntomp option. With -ntomp 16 run will
finish sooner than the other values for -ntomp.

In this state, volatile gpu-util is 47%. How to increase this parameter?

nvidia-smi command:

|-------------------------------+----------------------+----------------------+
| GPU Name Persistence-M| Bus-Id Disp.A | Volatile Uncorr.
ECC |
| Fan Temp Perf Pwr:Usage/Cap| Memory-Usage | GPU-Util Compute
M. |
|===============================+======================+======================|
| 2 TITAN X (Pascal) On | 0000:C1:00.0 Off |
N/A |
| 43% 71C P2 130W / 250W | 183MiB / 12189MiB | 47% E.
Process |
+-------------------------------+----------------------+----------------------+

Any help will be highly appreciated.