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In job trsh, check len rev_lines before accessing line i+300
1 parent 0991325 commit 0cac468

1 file changed

Lines changed: 3 additions & 2 deletions

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arc/job/trsh.py

Lines changed: 3 additions & 2 deletions
Original file line numberDiff line numberDiff line change
@@ -83,6 +83,7 @@ def determine_ess_status(output_path: str,
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return 'errored', ['NoOutput'], 'Log file could not be read', ''
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forward_lines = tuple(lines)
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reverse_lines = tuple(lines[::-1])
86+
len_reversed_lines = len(reverse_lines)
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if software == 'gaussian':
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for line in forward_lines[-1:-20:-1]:
@@ -93,7 +94,7 @@ def determine_ess_status(output_path: str,
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if 'l9999.exe' in line or 'link 9999' in line:
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cycle_issue = False
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neg_eigenvalues = False
96-
for j in range(i,len(reverse_lines)):
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for j in range(i, len(reverse_lines)):
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if 'Number of steps exceeded' in reverse_lines[j]:
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keywords = ['MaxOptCycles', 'GL9999']
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error = 'Maximum optimization cycles reached.'
@@ -132,7 +133,7 @@ def determine_ess_status(output_path: str,
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# Check if Inaccurate quadrature in CalDSu
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inacc_quad = False
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for j in range(i + 300, i, -1):
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if 'Inaccurate quadrature in CalDSu' in reverse_lines[j]:
136+
if j < len_reversed_lines and 'Inaccurate quadrature in CalDSu' in reverse_lines[j]:
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inacc_quad = True
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keywords = ['InaccurateQuadrature', 'GL502']
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error = 'Inaccurate quadrature in CalDSu'

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