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nwchem.nwchem parser does not catch input file error #25

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ltalirz opened this issue Oct 2, 2022 · 0 comments
Open

nwchem.nwchem parser does not catch input file error #25

ltalirz opened this issue Oct 2, 2022 · 0 comments

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@ltalirz
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ltalirz commented Oct 2, 2022

The following error was not caught by the parser (and the AiiDA calculation was assigned exit code 0):

------------------------------------------------------------------------
 dft_input: unknown directive                   0
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
  current input line :
    60:  multi 5
 ------------------------------------------------------------------------
 ------------------------------------------------------------------------
 There is an error in the input file
 ------------------------------------------------------------------------
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@ltalirz