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Fix bug of fp_task_min
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AnguseZhang committed Nov 24, 2021
1 parent 5f286d5 commit 8d7f8a7
Showing 1 changed file with 3 additions and 6 deletions.
9 changes: 3 additions & 6 deletions dpgen/generator/run.py
Original file line number Diff line number Diff line change
Expand Up @@ -1982,6 +1982,7 @@ def sys_link_fp_vasp_pp (iter_index,
def _make_fp_vasp_configs(iter_index,
jdata):
fp_task_max = jdata['fp_task_max']
fp_task_min = jdata['fp_task_min']
model_devi_skip = jdata['model_devi_skip']
v_trust_lo = jdata.get('model_devi_v_trust_lo', 1e10)
v_trust_hi = jdata.get('model_devi_v_trust_hi', 1e10)
Expand All @@ -1994,17 +1995,13 @@ def _make_fp_vasp_configs(iter_index,


modd_path = os.path.join(iter_name, model_devi_name)
task_min = -1
if os.path.isfile(os.path.join(modd_path, 'cur_job.json')) :
cur_job = json.load(open(os.path.join(modd_path, 'cur_job.json'), 'r'))
if 'task_min' in cur_job :
task_min = cur_job['task_min']

# make configs
fp_tasks = _make_fp_vasp_inner(modd_path, work_path,
model_devi_skip,
v_trust_lo, v_trust_hi,
f_trust_lo, f_trust_hi,
task_min, fp_task_max,
fp_task_min, fp_task_max,
[],
type_map,
jdata)
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