machine.json ---> how to add a ssh key command in order to run an electronic structure

[marcog2020460]

Summary

What is the command to add an ssh key to a machine.json file; I can not connect to a cluster to carry the electronic structure calculation. I can not find an example of a machine.json file that includes the command to add the ssh key. Please help me

fp": [{ "command": "cp2k.psmp -i input.inp", "machine": { "batch_type": "slurm", "context_type": "ssh", "remote_profile": { "hostname": "pitzer.osc.edu", "port": 22, "username":"com715" }, "local_root" : "./", "remote_root": "/scratch/user/u.mg129697/DPGEN-ADP" }, "resources": { "module_list": [ "GCC/10.3.0" , "OpenMPI/4.1.1", "CP2K/8.2" ], "batch_type": "slurm", "number_node": 1, "cpu_per_node": 64, "group_size": 50, "source_list": [], "envs": {"OMP_NUM_THREADS": 64}, "custom_flags": [ "#SBATCH -t 25:00:00", "#SBATCH --job-name=dpmd", "#SBATCH --nodes=1", "#SBATCH --ntasks=64", "#SBATCH --mem=248G", "#SBATCH --output=Example.%j", "#SBATCH --partition=cpu" ] } } ] }

DP-GEN Version

Version: 0.12.0

Platform, Python Version, etc

3.11

Details

fp": [{ "command": "cp2k.psmp -i input.inp", "machine": { "batch_type": "slurm", "context_type": "ssh", "remote_profile": { "hostname": "pitzer.osc.edu", "port": 22, "username":"com715" }, "local_root" : "./", "remote_root": "/scratch/user/u.mg129697/DPGEN-ADP" }, "resources": { "module_list": [ "GCC/10.3.0" , "OpenMPI/4.1.1", "CP2K/8.2" ], "batch_type": "slurm", "number_node": 1, "cpu_per_node": 64, "group_size": 50, "source_list": [], "envs": {"OMP_NUM_THREADS": 64}, "custom_flags": [ "#SBATCH -t 25:00:00", "#SBATCH --job-name=dpmd", "#SBATCH --nodes=1", "#SBATCH --ntasks=64", "#SBATCH --mem=248G", "#SBATCH --output=Example.%j", "#SBATCH --partition=cpu" ] } } ] }

[njzjz]

The path to the private key can be assigned in key_filename.