search

JuDFTteam / aiida-fleur

AiiDA plugin of the high-performance density functional theory code FLEUR (www.judft.de) for high-throughput electronic structure calculations.
https://aiida-fleur.readthedocs.io
Other
14 stars 7 forks source link

SCF workchain with inpgen and fleur code on different computers #135

Open janssenhenning opened 3 years ago

janssenhenning commented 3 years ago

When using the SCF workchain with codes on two different computers, you run into the problem that the options input is used for both (Dropping the MPI tasks etc. for the inpgen). And if for example a queue_name is provided this will lead to problems on submission