[ase-users] Genetic algorithm- new structures

[Mina Taleblou]

Dear all,
Hello.

I am using the ASE genetic algorithm and quantum espresso as the
calculator.
I run the code in parallel on marconi100.
1. Recently, when I run the code the genetic algorithm starts relaxing the
older structures (even structures that have been already successfully
relaxed) instead of creating new structures, using the same IDs. This way
reaching global minima is not possible.
2. There are many cases that after 149 steps, jobs are stopped with memory
error 'slurmstepd: error: Detected 1 oom-kill event(s) in step
1872160.batch cgroup'. A log file showing the large forces is attached.

I would appreciate your help.

-- 
*Mina Taleblou*
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