DFT analysis

Recently we have faced the following error. What might be the reason, because earlier we have used this protocol?


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Materials Studio DMol^3 version 2020

compiled on Oct 17 2019 19:55:04

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Density Functional Theory Electronic Structure Program

Copyright (c) 2019, Dassault Systemes, all rights reserved.

Cite work using this program as:

B. Delley, J. Chem. Phys. 92, 508 (1990).

B. Delley, J. Chem. Phys. 113, 7756 (2000).

DMol^3 is available as part of Materials Studio.

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DATE: May 12 12:08:50 2021


Job started on host DESKTOP-NH1A5A8


This run uses 1 processors


Warning: Could not checkout MS_dmol3descriptors license

Licensing Error !

Error: Failed to checkout MS_dmol license


Message: DMol3 job failed

Error: DMol3 exiting

Message: License checkin of MS_dmol3descriptors successful

Message: License checkin of MS_dmol successful