Skip to content
New issue

Have a question about this project? Sign up for a free GitHub account to open an issue and contact its maintainers and the community.

By clicking “Sign up for GitHub”, you agree to our terms of service and privacy statement. We’ll occasionally send you account related emails.

Already on GitHub? Sign in to your account

Avogadro consuming a lot memory for a long time #8

Closed
ghutchis opened this issue May 12, 2007 · 2 comments
Closed

Avogadro consuming a lot memory for a long time #8

ghutchis opened this issue May 12, 2007 · 2 comments

Comments

@ghutchis
Copy link
Owner

Load a CML file.

Add for example 8 Carbon atoms to a Oxygen atom (I know in real life this doesn't work...). Now optimzie the geometry. Works.

Now add the hydrogens with the menu-option and optimize again. After about 2 minutes with 60-80% consumption of my memory I killed Avogadro.

Reported by: @cniehaus

@ghutchis
Copy link
Owner Author

Logged In: YES
user_id=684210
Originator: YES

On IRC Donald told me that OpenBabel simply takes ages in this case... Therefor this is a variation of bug 717807 I guess.

Original comment by: @cniehaus

@ghutchis
Copy link
Owner Author

ghutchis commented Jun 4, 2007

Logged In: YES
user_id=21420
Originator: NO

I agree -- this is a duplicate. It's not a bug in the geometry optimization. It's just that the code takes ages to optimize and Avogadro doesn't provide feedback to what's happening.

I'm marking this closed as an duplicate interface bug.

Original comment by: @ghutchis

Sign up for free to join this conversation on GitHub. Already have an account? Sign in to comment
Projects
None yet
Development

No branches or pull requests

1 participant