lammps with multi GPUs

[cui-hq]

The size of my system is too big for one GPU when running MD with lammps, so I want to use two gpus to perform MD, but I still met the error "RESOURCE_EXHAUSTED: failed to allocate memory", my command in "CUDA_VISIBLE_DEVICES=0,1 nohup mpirun -n 1 lmp -i input.lammps &", memory for gpu0 is 11205MiB while 134MiB for gpu1, I want to know how to run MD with two gpus to allocate the memory reasonable. thank you.

[njzjz]

To use two GPUs you need to use two MPI ranks.

[njzjz]

Have you installed horovod?

[cui-hq]

yes,I have installed.

[cui-hq]

[njzjz]

Perhaps due to #2912?

[cui-hq]

thanks for your reply, in my system, openmpi was used.

[cui-hq]