[ase-users] Multiple calculations

[Kondov, Ivan (SCC)]

Dear Oscar,



independent of which module (for example calculator) from ASE you want to use 
in parallel you can try out https://materialsproject.github.io/fireworks to 
asynchronously run many calculations in parallel. ASE integrates very nicely 
into it. As soon as the last calculation ends then your comparison step will 
be started automatically.



Best regards,

Ivan





From: ase-users-bounces at listserv.fysik.dtu.dk 
[mailto:ase-users-bounces at listserv.fysik.dtu.dk] On Behalf Of Oscar Xavier 
Guerrero via ase-users
Sent: Thursday, March 01, 2018 7:19 PM
To: ase-users
Subject: [ase-users] Multiple calculations



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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