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August 17, 2019

NWChem failed job showing up as complete Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » Job Manager » NWChem failed job showing up as complete « Previous Next »

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Christine Morales
Unregistered guest
Posted on Tuesday, June 23, 2015 - 10:39 pm:   

It seems that NWChem jobs that have failed are being marked as "complete" in the job manager. These jobs apparently failed because they had poor starting geometries.

I have tried editing the file parse_nwchem.cgi... However, my attempt at a patch only seems to work if I re-import the output file as a new job. If I run the javascript:ReParse() command from the View Job window, it recognizes the job as failed but does not issue the correct failure code. And if I restart the same job, it will fail again but register as complete until I re-parse it with javascript:ReParse().

I am attaching a sample NWChem output file, and my edited version of parse_nwchem.cgi (which also contains unrelated modifications to run gennbo and to automate some unit conversions for my students).

text/plainSample failed NWChem Output
3533.out.txt (30.0 k)
JR Schmidt
Moderator
Username: Schmidt

Post Number: 462
Registered: 11-2006
Posted on Wednesday, June 24, 2015 - 10:43 am:   

Christine,

This will be updated in the next release. I will send you a patch.

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