Révision 0d2f159a modules/calculation.py
b/modules/calculation.py | ||
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@return unfinished_calcs: List of calculations that have finished abnormally |
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""" |
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from glob import glob |
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import ase.io |
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from modules.utilities import tail |
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finished_calcs = [] |
... | ... | |
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logger.warning(warn_msg) |
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unfinished_calcs.append(conf) |
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else: |
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try: |
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ase.io.read(f"{run_type}/{conf}/OUTCAR") |
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except ValueError: |
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unfinished_calcs.append(conf) |
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continue |
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except IndexError: |
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unfinished_calcs.append(conf) |
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continue |
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with open(f"{run_type}/{conf}/OUTCAR", 'rb') as out_fh: |
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if "General timing and accounting" not in tail(out_fh): |
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unfinished_calcs.append(conf) |
Formats disponibles : Unified diff