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BugFix: Correctly set the Molpro output name
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xiaoruiDong committed May 9, 2020
1 parent d2d3500 commit 9b09e41
Showing 1 changed file with 3 additions and 4 deletions.
7 changes: 3 additions & 4 deletions arc/job/job.py
Original file line number Diff line number Diff line change
Expand Up @@ -1310,10 +1310,9 @@ def _download_output_file(self):

# download molpro log file (in addition to the output file)
if self.software.lower() == 'molpro':
remote_log_file_path = os.path.join(self.remote_path, 'input.log')
local_log_file_path = os.path.join(self.local_path, 'output.log')
ssh.download_file(remote_file_path=remote_log_file_path, local_file_path=local_log_file_path)
if not os.path.isfile(local_log_file_path):
remote_log_file_path = os.path.join(self.remote_path, output_filename[self.software])
ssh.download_file(remote_file_path=remote_log_file_path, local_file_path=self.local_path_to_output_file)
if not os.path.isfile(self.local_path_to_output_file):
logger.warning(f'Could not download Molpro log file for {self.job_name} ' \
f'(this is not the output file)')

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