WebMO - Computational chemistry on the WWW
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WebMO 13.0 is now available for free download!

WebMO 13.0 Pro and Enterprise have a variety of additional features and is available for purchase.

WebMO can now build bulk, periodic (1D, 2D, 3D) materials. Periodic calculations are supported in Gaussian, PWSCF, and VASP!

December 12, 2019

Nonsensical values in Calculated Quan... Log Out | Topics | Search
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WebMO Support Forum » Running WebMO Jobs » View Molecular Orbitals » Nonsensical values in Calculated Quantities « Previous Next »

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Pete Smith
Unregistered guest
Posted on Thursday, August 30, 2012 - 2:37 pm:   

I just reinstalled WebMO Pro 10.1 on a brand new Windows 7 (64 bit) machine. When trying to see if I did everything correctly I ran a Molecular Orbitals calculation on CO2. The output makes no sense and when I click on the magnifying glass to view an orbital I get a pop up error. I have included screenshots of both.

I am using Firefox 15.0. Do you have any thoughts about what I have done wrong?

Thanks,
Pete

Screenshot of Calculated QuantitiesScreenshot of popup error
JR Schmidt
Moderator
Username: Schmidt

Post Number: 289
Registered: 11-2006
Posted on Thursday, August 30, 2012 - 2:41 pm:   

I strongly suggest this has to do with Perl. The most recent version of Perl (I believe 5.10 and higher) removed a key feature that I had been using in WebMO.

In the most recent version of WebMO (12 and 13), I resolved this by re-writing large portions of the code, such that WebMO 13 is now compatible with all Perl version.

If you do not want to upgrade from WebMO 10 - > WebMO 13, the alternative is to try and locate an older version of Perl (5.8 should be OK, I believe). This should likely resolve the issue.
Pete Smith
Unregistered guest
Posted on Thursday, August 30, 2012 - 4:13 pm:   

I suspected as much. We actually have a order submitted for WebMO 13 Pro.

Thanks,
Pete

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