Generating GAMESS input files in Avogadro

Development
1

Hallo everyone!
I am new to Avogadro2. I have found wonderful tutorial with Avogadro at tutorial.
So I tried to do it step by step. I am using Windows 11. So I started to install all the programs. I have been getting errors every time about some dll-s missing and so on. It wasn’t easy to get up this step. Now I am stack again. I had installed GAMESS, Gabedit, Avogadro 1.99, MolQueue.
So I have drew the structure of water. I have optimised it geometry with GAMESS. Now I had to press Input > GAMESS > Submit Calculation. So I did it. So small window on top appeared with empty list of “Programs and Queues”. If I press ok it askes to select something from list.
Next I have added gamess.2023.R1.intel.exe via MolQueue>Queue Manager> Add. Next I have entered “gamess”. Soi then I have pressed configure>programs>add. So I have inserted path to the .exe file near to “executable” label. Next I pressed Ok. Than I have closed both windows. So I tried repeating steps from the tutorial with no success: I received this small window with empty list of programs and Queues.

So What should I do to fix this issue?

2

While I don’t know that tutorial, it would be useful to know the particular errors / dll messages, etc. that you saw. Generally these should be fixable. (Noel, who wrote the tutorial did that maybe 10-12 years ago?)

This sounds like an issue with MoleQueue. While it’s a great concept, unfortunately, it’s currently unmaintained. (It needs particularly some good documentation and tutorials as you note.)

Since I neither use Windows, nor GAMESS, I’m afraid I can’t help much. My workaround would be to use Avogadro to save the input files and launch GAMESS from the Windows command prompt. I think there’s a GAMESS mailing list at https://groups.google.com/g/gamess/about?pli=1