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[Opal] error: quaternion isn't unit quaternion

From: "Piot, Philippe Regis Guy" <ppiot AT anl.gov>
To: "opal AT lists.psi.ch" <opal AT lists.psi.ch>
Subject: [Opal] error: quaternion isn't unit quaternion
Date: Wed, 25 Sep 2024 15:59:43 +0000
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All,

What is the meaning of an error of the type:

Error{110}> *** User error detected by function "Quaternion::rotate()"

Error{110}> quaternion isn't unit quaternion. Norm: -nan

Error{110}> quaternion isn't unit quaternion. Norm: -nan ?

It comes and go randomly – today on our cluster I noticed the simulation worked OK in one directory but led to the above error in another directory – it also depends on the settings of the field in an alpha magnet. I am using 2022.2.99. And could reproduce the error on two different clusters. My input files with the outputs are available at https://anl.box.com/s/w9cv1qlr8s3vd8n15hgytwy57bxmin29

Thanks! – Philippe.

[Opal] error: quaternion isn't unit quaternion, Piot, Philippe Regis Guy, 09/25/2024
- Re: [Opal] error: quaternion isn't unit quaternion, Piot, Philippe Regis Guy, 09/25/2024