Skip to content

Memorgy Overload when treating systems with large PL #48

@AsymmetryChou

Description

@AsymmetryChou

Describe the bug

A bug report from @Lonya0.
When treating systems with large principal layers, the current version DPNEGF would raise memory overload. This is a bug due to the default setting of njobs in self-energy calculation. An automatic njob determination mechanism is necessary.

Image

Expected behavior

No response

To Reproduce

No response

Environment

No response

Additional Context

No response

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type
    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions