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

Crash when computing the absorption with methods other than 'diag' #14

Open
alejandrojuria opened this issue Mar 13, 2024 · 0 comments
Open

Comments

@alejandrojuria
Copy link
Owner

The Xatu executable crashes when it has to compute the absorption after the BSE calculation. For instance, the following command crashes:
./bin/xatu models/hBN.model excitonconfig/hBN_spinless.txt -a -m sparse
./bin/xatu models/hBN.model excitonconfig/hBN_spinless.txt -a -m davidson

It crashes with the following error:

xatu(8240,0x1fa956080) malloc: *** error for object 0xc649b1b: pointer being freed was not allocated
xatu(8240,0x1fa956080) malloc: *** set a breakpoint in malloc_error_break to debug

Most likely this is produced by a mismatch between the dimension of the matrix storing the eigenvectors (which for those methods is restricted to the number of states specified in the CLI, 8 by default), and the routine for the absorption, which expects the whole spectrum currently.

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

No branches or pull requests

1 participant