[Dask-specific] Picking up correct command in distributed workers

ulissigroup / vasp-interactive

GNU Lesser General Public License v2.1

53 stars 11 forks source link

[Dask-specific] Picking up correct command in distributed workers #15

Closed alchem0x2A closed 2 years ago

alchem0x2A commented 2 years ago

Currently the way VaspInteractive works by setting self._args upon initialization is incompatible with distributed frameworks like dask, if the vasp environment variables in the remote worker differs from local one. See example08.