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

Reading the Integrals will break HPC #49

Open
anbenali opened this issue Sep 8, 2022 · 1 comment
Open

Reading the Integrals will break HPC #49

anbenali opened this issue Sep 8, 2022 · 1 comment

Comments

@anbenali
Copy link

anbenali commented Sep 8, 2022

All ranks read the fcidump file.

def load_integrals(fcidump_path,)

Does not take the communicator and does not have a brodcast at the end. If you submit this code on Theta with 128nodes trying to read a 1Gb input file you will receive an angry mail from management.

@TApplencourt
Copy link
Collaborator

TApplencourt commented Sep 8, 2022

The goal is to use HDF5 and that each rank will read from disk but from a different offset. We don't want to send tera byte of data.
Ye told me it was the way to do :D

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

2 participants