How to save my simulations after each geometry optimizations ?
Hello,
Why I cannot save my simulations after each geometry optimizations ?
It is like if the molecular viewer is not always displayed at the end of my optimizations.
K.R.
Giuseppe
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Baudilio Tejerina @ on
The molecule is automatically displayed after the computation has been successful completed.
Otherwise, you should check the log file and look for errors: CPU exceeded, geometry did not converge, etc., revise you job definition and configuration and resubmit.
Regards,
Baudilio
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