This code is a workflow for testin PWDFT and QE codes in Aurora/Sunspot.
It needs:
- pwdft_ase repo
- multilauncher own implementation
This research used resources of the Argonne Leadership Computing Facility, which is a DOE Office of Science User Facility supported under Contract DE-AC02-06CH11357. Argonne National Laboratory’s work was supported by the U.S. Department of Energy, Office of Science, under contract DE-AC02-06CH11357.
All rights reserved. Copyright Argonne National Laboratory UChicago LLC. Raymundo Hernandez-Esparza