[BUG] Some of autotest initersitial jobs fail to create element.out #500
Description
Summary
Some of the autotest interstitial jobs raise this Error when performing dpgen autotest make interstitial.json, some don't.
Traceback (most recent call last):
File "/opt/anaconda3/bin/dpgen", line 8, in <module>
sys.exit(main())
File "/opt/anaconda3/lib/python3.7/site-packages/dpgen/main.py", line 175, in main
args.func(args)
File "/opt/anaconda3/lib/python3.7/site-packages/dpgen/auto_test/run.py", line 57, in gen_test
run_task(args.TASK, args.PARAM, args.MACHINE)
File "/opt/anaconda3/lib/python3.7/site-packages/dpgen/auto_test/run.py", line 28, in run_task
make_property(confs, inter_parameter, property_list)
File "/opt/anaconda3/lib/python3.7/site-packages/dpgen/auto_test/common_prop.py", line 95, in make_property
prop.post_process(task_list) # generate same KPOINTS file for elastic when doing VASP
File "/opt/anaconda3/lib/python3.7/site-packages/dpgen/auto_test/Interstitial.py", line 179, in post_process
fin1 = open(os.path.join(task_list[0], '..', 'element.out'), 'r')
IndexError: list index out of rangeThe input.json files are the same:
{
"structures": ["confs/Si/mp-1196961"],
"interaction": {
"type": "vasp",
"incar": "../vasp_input/INCAR.rlx",
"potcar_prefix": "../vasp_input/",
"potcars": {"Si": "POTCAR"}
},
"properties": [
{
"type": "interstitial",
"supercell": [1, 1, 1],
"insert_ele": ["Si"],
"conf_filters": {"min_dist": 1.5},
"cal_setting": {"input_prop": "../vasp_input/INCAR"}
}
]
}DPGEN Version and Platform
DPGEN version: 0.10.0
platform: ALI ECS
Job submission and computing cluster configuration
Expected Behavior
Actual Behavior
Steps to Reproduce
Further Information, Files, and Links