[Openchemistry-developers] Open Chemistry Avogadro2 - Molequeue Localsocket Communication in Windows 7

Carlos Salgado carlos.salgado.cs at gmail.com
Mon Jun 27 17:37:53 EDT 2016


Dear all,

I have developed several new features to prepare Gaussian Calculations with
Avogadro2, and I use these in Linux with and without MoleQueue (in a SGE
cluster). However, when I try to do the same in Windows, there appear 2
problems:

1. When I use the stable version of MoleQueue, it seeks for job.sge inside
$workdir/14/job.sge instead $workdir/14/14/job.sge, where the file is
copied by pscp (for the 14th job, in this case).

2. When I use the latest version downloaded from the git repository,
Avogadro2 does not find the MoleQueue Server in the "Submit GAUSSIAN
Calculation" menu (however, the alert which appears when MoleQueue is not
started does not appear). I think this may be a problem due to the
localsocket connection. The icon does not appear in the context menu of the
system tray, as it does with the stable version.

Does enyone have had such a problem in Windows 7?

Thank you very much for your help.

Best regards,

Carlos Salgado
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