Interference with Gaussian 16


Not sure if this is related to VirtualFlow, Gaussian or user specific aliases and functions but I’ve noticed that when having both gaussian and virtualflow aliases and functions in the .bashrc file results in virtualflow (sub)jobs not being able to submit. Once the gaussian part is commented out virtualflow is able to resubmit again.

Hi Arthur,

That’s interesting, thanks for reporting.

Could you paste the Gaussian part?

And also describe the problem when submitting jobs in detail?

Thank you,

I have a hotfix for those having similair issues:

Rather than adding the gaussian 16 related aliases and functions to your .bashrc file.
Simply add them to your file and the cluster will be able to run both VirtualFlow and Gaussian 16 jobs simultaneously:

#export g16root GAUSS_SCRDIR
#. $g16root/g16/bsd/g16.profile

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Thanks for the update Arthur, nice solution :slight_smile: