[Wien] Segmentation Fault after CORE END

Laurence Marks L-marks at northwestern.edu
Sat Oct 6 01:06:59 CEST 2018


Everything indicates that there are errors in what you are doing. Based
upon the case.scfm and case.outputm files, the prior error was not in the
mixer, it was a general failure due to incorrect useage.

As one example, you cannot just "change" the potential. At a minimum you
must save the prior version, change case.in0 then run.

On Fri, Oct 5, 2018, 17:36 Eric Kenney <kenneyef at bc.edu> wrote:

> Based on the recommendation of Gavin Abo, I entered the struct file by
> hand.  I got the system to run properly for a bit and did some
> calculations.  But, upon attempting to change the potential from PBE to
> LDA, the mixer began crashing again.  Now it's crashing even using PBE.
>
> I'm using version 18.1; I'll look into seeing if I can get it patched.
>
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