Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

Sign up for GitHub

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Edit the retrieve_list to include more werr files #121

Merged
merged 1 commit into from
Jan 11, 2024
Merged

Edit the retrieve_list to include more werr files #121

Show file tree
Hide file tree
Changes from all commits
Commits
Show all changes
1 commit
Select commit
File filter

Filter by extension

Filter by extension
Conversations
Failed to load comments.
Loading
Jump to
Jump to file
Failed to load files.
Loading
Diff view
Diff view
2 changes: 1 addition & 1 deletion src/aiida_wannier90/calculations/postw90.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -78,7 +78,7 @@ class Postw90Calculation(CalcJob):
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)

_DEFAULT_RETRIEVE_TEMPORARY_SUFFIXES = (
Expand Down
2 changes: 1 addition & 1 deletion src/aiida_wannier90/calculations/wannier90.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -122,7 +122,7 @@ class Wannier90Calculation(CalcJob):
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)

@classmethod
Expand Down
3 changes: 2 additions & 1 deletion src/aiida_wannier90/parsers/postw90.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -120,7 +120,8 @@ def parse(self, **kwargs): # pylint: disable=inconsistent-return-statements
)
return self.exit_codes.ERROR_WERR_FILE_PRESENT

# Some times the error files are aiida.node_00001.werr, ...
# Some times the error files are aiida.node_XXXXX.werr, ...
# The XXXXX are 5-digit index of processor
error_file_name = re.compile(seedname + r".+?\.werr")
for filename in out_folder.base.repository.list_object_names():
if error_file_name.match(filename):
Expand Down
3 changes: 2 additions & 1 deletion src/aiida_wannier90/parsers/wannier90.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -126,7 +126,8 @@ def parse(self, **kwargs): # pylint: disable=inconsistent-return-statements
)
return self.exit_codes.ERROR_WERR_FILE_PRESENT

# Some times the error files are aiida.node_00001.werr, ...
# Some times the error files are aiida.node_XXXXX.werr, ...
# The XXXXX are 5-digit index of processor
error_file_name = re.compile(seedname + r".+?\.werr")
for filename in out_folder.base.repository.list_object_names():
if error_file_name.match(filename):
Expand Down
8 changes: 4 additions & 4 deletions tests/calculations/test_local_input.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -105,7 +105,7 @@ def test_default(
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)
]
retrieve_temporary_list = []
Expand Down Expand Up @@ -191,7 +191,7 @@ def test_default_plot(
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)
]
retrieve_temporary_list = []
Expand Down Expand Up @@ -304,7 +304,7 @@ def test_no_projections(
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)
]
retrieve_temporary_list = []
Expand Down Expand Up @@ -369,7 +369,7 @@ def test_list_projections(
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)
]
retrieve_temporary_list = []
Expand Down
4 changes: 2 additions & 2 deletions tests/calculations/test_remote_input.py
View file
Open in desktop
Original file line number Diff line number Diff line change
Expand Up @@ -104,7 +104,7 @@ def test_default_remote(
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)
]
retrieve_temporary_list = []
Expand Down Expand Up @@ -201,7 +201,7 @@ def test_unk_symlink(
".vdw",
"_band_proj.dat",
"_band.labelinfo.dat",
".node_00001.werr",
".node_*.werr",
)
]
retrieve_temporary_list = []
Expand Down