TeraChem 1.95A -- No visible output

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Hypersphere
Posts: 7
Joined: Mon Jun 08, 2020 3:57 pm
Full Name: Rudy J. Richardson
Organization: University of Michigan

TeraChem 1.95A -- No visible output

Post by Hypersphere »

Running WebMO v22.0.009p on Linux Mint 21.1 (based on Ubuntu 22.04) with Xfce DE. TeraChem 1.95A is installed on the same machine, and I can successfully run tests on standalone TeraChem. However, when I run TeraChem via WebMO, the job completes without showing any error, but there is no visible output in the molecular viewer window.

If molecular orbitals are listed, when I click on the view symbol next to a given MO, again nothing appears in the molecular viewer window. When I examine the output files, there is an "output.xyx" file, but it is empty.

I have contacted TeraChem, but they believe that the problem is with WebMO; this conclusion seems warranted, given that I can get TeraChem to run on its own.

Any thoughts on how to solve this problem?

schmidt
Posts: 61
Joined: Sat May 30, 2020 3:00 pm
Full Name: JR Schmidt
Organization: WebMO, LLC

Re: TeraChem 1.95A -- No visible output

Post by schmidt »

We will work on updating WebMO for recent TeraChem changes.

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