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lines changed Original file line number Diff line number Diff line change 4040
4141 base : # base parameters is inherit by other process
4242 occupations : smearing
43- degauss : 0.0125
43+ degauss : 0.0125
4444 smearing : fd
4545 conv_thr_per_atom : 1.0e-9
4646 kpoints_distance : 0.1 # fine protocol of qe -> gabriel
Original file line number Diff line number Diff line change @@ -78,7 +78,7 @@ efficiency:
7878
7979 eos :
8080 mode : 0
81- bounds : [0.0, 0.2]
81+ bounds : [0.0, 0.2]
8282 eps : 1.0e-3
8383
8484 phonon_frequencies :
Original file line number Diff line number Diff line change 1+ from builtins import ConnectionError
12from typing import Optional
3+ from paramiko import ssh_exception
4+
25
36from aiida import orm
47
@@ -40,8 +43,12 @@ def clean_workdir(node: orm.CalcJobNode) -> Optional[int]:
4043 # other subsequent calcjob as `parent_folder`, i.e PH calculation.
4144 cached_from = node .base .extras .get ("_aiida_cached_from" , None )
4245 if not cached_from :
43- node .outputs .remote_folder ._clean () # pylint: disable=protected-access
44- return node .pk
46+ try :
47+ node .outputs .remote_folder ._clean () # pylint: disable=protected-access
48+ except ssh_exception .SSHException as exc :
49+ raise ConnectionError ("ssh error" ) from exc
50+ else :
51+ return node .pk
4552 else :
4653 return None
4754
Original file line number Diff line number Diff line change @@ -194,11 +194,15 @@ def finalize(self):
194194 """set ecutwfc and ecutrho"""
195195
196196 if self .inputs .clean_workdir .value is True :
197- cleaned_calcs = operate_calcjobs (
198- self .node , operator = clean_workdir , all_same_nodes = False
199- )
200-
201- if cleaned_calcs :
197+ try :
198+ cleaned_calcs = operate_calcjobs (
199+ self .node , operator = clean_workdir , all_same_nodes = False
200+ )
201+ except ConnectionError as exc :
202+ self .logger .warning (
203+ f"clean remote workdir folder { self .inputs .clean_workir } failed: { exc } "
204+ )
205+ else :
202206 self .report (
203207 f"cleaned remote folders of calculations: { ' ' .join (map (str , cleaned_calcs ))} "
204208 )
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