MEMORY related info in avogadro

General Discussion
1

dear user
im using avogadro generated ORCA input
so orca was showing run abort
is there any option in AVOGADRO to know about memory space ?

2

Possibly yes if preparing the file via Input → Orca to reach this widget:

orca_input_generator
orca_input_generator768×736 62.5 KB

In case it is not accessible to you, check if you have the optional Avogenerators installed (Extensions → Download Plugins, entry Avogenerators; their work relies on Python):

generator_download
generator_download1042×612 112 KB

3

What version of Avogadro are you using?

4

sir, I’m using latest version 1.2

5

Sorry, v. 1.2 does not have memory options and can’t perform bug fixes.

  • Try a beta from https://two.avogadro.cc/
  • If not, click in the text area of the Orca input and paste in the memory you need, e.g. 3GB (per core)
%maxcore 3072

See ORCA Input Library - ORCA Common Errors and Problems

6

ok sir does this 1.97 version of AVOGADRO has a seperate manual/?