[gmx-users] offloading PME to GPUs

[jing liang]

Hello,

I understood from the documentation:

http://manual.gromacs.org/documentation/2018-current/user-guide/mdrun-performance.html

that PME can be now offloaded to GPUs in v2018. I'm using SLURM in a
machine with 24
cores, I wonder if the following script would be able to offload PME to GPUs

#SBATCH -n 2
#SBATCH -c 12
#SBATCH --gpu:2

slurun gmx_mpi mdrun -ntomp 12 -npme 0 -dlb yes  -v -deffnm step1

Is there some information in the log files which can allow me to see if PME
has been
offloaded and what was the performance gain upon using GPUs?

Thanks.