[ase-users] Multiple calculations

[Simon P. Rittmeyer]

Hi Oscar,

you may want to have a look at the multiprocessing module. We are using this one a lot to parallelize over independent calculations. Of course, it also depends a bit on which calculator you want to use.

Best
Simon

Dr. Simon P. Rittmeyer

Technical University of Munich
Department of Chemistry
Chair of Theoretical Chemistry

Lichtenbergstr. 4
85747 Garching, Germany

Tel. +49 89 289 54324
Office CH63223

simon.rittmeyer at tum.de
https://www.th4.ch.tum.de

> Am 01.03.2018 um 19:18 schrieb Oscar Xavier Guerrero via ase-users <ase-users at listserv.fysik.dtu.dk>:
> 
> Hello all,
> 
> Is there a way to run calculations more then one at a time? With something like async or in a parallel fashion.
> 
> This is to run several systems with small changes and compare them without having to wait for one so the next one starts.
> 
> 
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