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April 7, 2020

MOPAC vib freq calc shows 'failed' th... Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » Other » MOPAC vib freq calc shows 'failed' though raw output is OK « Previous Next »

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Natasha G
Unregistered guest
Posted on Friday, November 15, 2019 - 10:52 am:   

We have been using MOPAC software (MOPAC2016 ver: 18.305L) via the WEBMO interface for several years as part of our undergraduate chemistry teaching modules. Recently we have experienced an error, whereby a MOPAC Vibrational Frequency calculation job ‘freezes’ within the WEBMO queue. Eventually after some time, the job is ejected from the queue and considered to have failed. However, the calculation itself has successfully finished (as can be seen from the MOPAC raw output file). Is it the MOPAC software not telling the WEBMO queue that the calculation has finished, or is it the WEBMO queue not recognizing that the MOPAC calculation has finished, or something else?
I've seen a similar post regarding Gaussian but this was an old post and the issue was resolved when a new version of Webmo was realised.
Has anyone come across this error before?
Thanks
JR Schmidt
Moderator
Username: Schmidt

Post Number: 661
Registered: 11-2006
Posted on Friday, November 15, 2019 - 1:39 pm:   

"Mouse over" the "failed" item in the job manager, and it should provide a reason why the job was considered failed.

Alternatively, it could be an issue parsing the output. To check, view the failed job and typing the following into the URL bar of the browser: "javascript:ReParse()" (no quotes). This should be quick, if there is no issue. If this takes a long time (~60-90s) please let me know and post an output file.

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