[ase-users] Problems with dftd3 and multiple nodes.

[Sascha Thinius]

Good morning,

I am happy that dftd3 is available in the ASE from version ase-3.15.0b1.
Using a single node everything works fine for me.
Using two or more nodes the code get stuck.
Attached you find out-File, err-File, structure-File, python-scipt and the submission-scipt. Ignore bad settings in the 
python-scipt.
The code get stuck in the calculate() fuction line 228 (in the if world.rank == 0 statement).
ase_dftd3.xyz ist written, ase_dftd3.out is written but empty.

Thanks for any advise.

All the best,
Sascha.
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