make wfl pool autoparallelization torch GPU ID aware#363

Merged

bernstei merged 13 commits intomainfrom

Nov 3, 2025

Commits on Oct 28, 2025

Enable assigning of specific GPUs to each autopara python subprocess with WFL_TORCH_DEVICE_IS_SUBPROCESS_ID
bernstei
committed
Switch all tests to ase LangevinBOAB, and fix missing gpu_id_queue when not running in pool. Also, workaround opt.converged ASE issue 1744
bernstei
committed
Refactor clean_rundir and related
bernstei
committed

Commits on Oct 29, 2025

Commits on Oct 30, 2025

Update expected number of pass/fail/etc in complete_pytest.tin
bernstei
committed