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Other input files such as INCAR POSCAR POTCAR run VASP directly to get results |
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I ran dpgen-init with this error. Log, found that the list is empty and OUTCAR does not appear on the machine running VASP. View *. sub file doesn't feel right either. Please help me see how to solve this problem.
this is the *.sub file
this is the error.log
Here are my input files and machine information
machine.json
{
"api_version": "1.0",
"train": {
"machine": {
"batch_type": "Shell",
"context_type": "local",
"remote_root": "/home/scu401/lxx/inputfile/cbn-4_4_4",
"local_root": "./"
},
"resources":{
"source_list": ["/home/scu401/lxx/deepmd-kit/bin"],
"group_size": 2,
"machine": {
"batch_type": "Shell",
"context_type": "local",
"remote_root": "/home/scu401/lxx/inputfile/cbn-4_4_4",
"local_root": "./"
},
"resources": {
"source_list": [
"/opt/env/lammps-23Jun2022+deepmd_2.2.4+openmpi-4.1.5+intel2019u4+cuda-11.2"
],
"batch_type": "Shell",
"group_size": 160,
"number_node": 1,
"cpu_per_node": 1,
"gpu_per_node": 1,
"queue_name": "newgpu",
"kwargs": {}
},
"command": "lmp-mpi"
},
"fp": {
"machine": {
"batch_type": "pbs",
"context_type": "ssh",
"remote_profile": {
"hostname": "",
"port": ,
"password": "",
"username": ""
},
"remote_root": "/public/home/cbn",
"local_root": "./"
},
"resources": {
"batch_type": "pbs",
"group_size": 1,
"source_list": ["/public/software/profile.d/apps_vasp-5.4.4_intel2020_intelmpi2020.sh"],
"number_node": 1,
"cpu_per_node": 16,
"queue_name": "111",
"custom_flags": [
"#PBS -l walltime=100:00:00"
],
"kwargs": {},
"gpu_per_node": 0
},
"command": "mpirun -np 16 vasp_std"
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