Only one GPU in a multi-GPU system is used when running Lammps

[yunsuyunsu]

I installed GPU version DeePMD and Lammps with conda on a system with 8 GPUs. After training, I run "lmp -sf gpu -pk gpu 8 -i in.lammps", but an error shows up "ERROR: Using suffix gpu without GPU package installed (src/lammps.cpp:801)". If I run "lmp -i in.lammps", only 1 out of the 8 GPUs is used. My question is how to use all the 8 GPUs when running lammps.

[njzjz]

See #667. The correct way is to use MPI, i.e. mpirun -n 8 lmp ....