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This blog is part of web activities of the Laboratory of Organic Materials (LOM) of the Institute of Solid State Physics of the University of Latvia.

Friday, April 22, 2016

ntrex1 error of Gaussian


Error


ntrex1

as a separate line at the bottom of output file occured recently, as I was transferring an .GJF file from Windows™ onto Linux® and forgot to change path for all checkpoint files. So, the system could not find "D:\darba\something.chk", and the process crashed with the aforementioned error. Please check twice when You are changing Your checkpoints! :-)
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2 comments:

  1. UnknownSeptember 19, 2019 at 6:35 AM

    Is it useful to delete the checkpoint file path in the .gjf file?

    ReplyDelete
    Replies
    1. Igors MihailovsSeptember 19, 2019 at 7:21 PM

      Will You need the checkpoint file for anything after the calculation? If so, better assign it another name. And don't forget to delete old unneeded checkpoints, of course.

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