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| { "train": [ { "machine": { "batch": "slurm", "hostname": "", "port": 22, "username": "haidi", "work_path": "/fs0/home/haidi/work/Au/runvasp/work" }, "resources": { "numb_gpu": 1, "numb_node": 1, "task_per_node": 30, "partition": "gpu4", "exclude_list": [], "_mem_limit": 28, "source_list": [], "module_list": [], "task_max": 200, "time_limit": "48:0:0" }, "command": "/fs0/home/haidi/soft/deepmd-kit-gpu-1.2.0/bin/dp", "group_size": 1 } ],
"model_devi": [ { "machine": { "batch": "slurm", "hostname": "", "port": 22, "username": "haidi", "work_path": "/fs0/home/haidi/work/Au/runvasp/work" }, "resources": { "numb_gpu": 1, "numb_node": 1, "task_per_node": 4, "partition": "gpu4", "exclude_list": [], "_mem_limit": 28, "source_list": [], "module_list": [], "task_max": 100, "time_limit": "23:0:0", "envs" : { "TF_INTRA_OP_PARALLELISM_THREADS":1, "TF_INTER_OP_PARALLELISM_THREADS":1, "OMP_NUM_THREADS":4 } }, "command": "/fs0/home/haidi/soft/deepmd-kit-gpu-1.2.0/bin/lmp", "group_size": 10 } ],
"fp": [ { "machine": { "batch": "slurm", "hostname": "", "port": 22, "username": "haidi", "work_path": "/fs0/home/haidi/work/Au/runvasp/work" }, "resources": { "allow_failure": true, "ratio_failue": 0.05, "numb_node": 1, "task_per_node": 40, "partition": "cpu", "with_mpi": false, "task_max": 100, "exclude_list": ["cu11","cu02"], "time_limit": "48:0:0", "source_list": ["/fs0/software/intel/2017u5/parallel_studio_xe_2017.5.061/psxevars.sh intel64"], "envs" : {"PATH" : "/fs0/home/haidi/soft/vasp-5.4.4-2017u5/bin:$PATH" } }, "command": "mpirun -np 40 vasp_gam", "group_size": 1 } ] }
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