[ase-users] Dacapo NEB in parallel

Nonni Bergmann jber at fysik.dtu.dk
Thu Sep 10 13:48:58 CEST 2009


Hi all

I've been trying to run NEB calculations using ase3 and Dacapo. The
problem is the speed at which the calculations are run since I cannot
figure out how to parallelize over images (one NEB image on each node
or group of nodes).
Can you give me some help.

best regards
Jon Bergmann Maronsson



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