[gmx-users] How to increase the 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.