Hi,
I’ve recently managed to pull the available Docker Image of LAMMPS on a GPU cluster, which I call using:
docker run -v /home/DockerDir:/home/WorkDir/ --gpus all --rm -it lammps/lammps:latest
Then, I get:
LAMMPS (30 Jul 2021)
OMP_NUM_THREADS environment is not set. Defaulting to 1 thread. (src/comm.cpp:98)
using 1 OpenMP thread(s) per MPI task
From there I can write on the terminal, my guess is that I can run whatever I need, but using:
mpirun -n 8 lmp_mpi example_dir/in.example
always gets me to
ERROR: Unknown command: mpirun -n 8 lmp_mpi example_dir/in.example (src/input.cpp:274)
Last command: mpirun -n 8 lmp_mpi example_dir/in.example
Am I missing something?
In the Docker list of Images there are also
which I do not know if are complementary or just other versions of the same Image.
Many thanks!
Roger B