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Re: [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: Re: [Opal] error: quaternion isn't unit quaternion
Date: Wed, 25 Sep 2024 16:51:45 +0000
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BTW: The issue I encoutered is reproducible on Version 2024.1 -- Best, – Philippe.

It happen when entering the alpha-magnet map;

OPAL {0}>

Error{35}>

Error{35}> *** User error detected by function "Quaternion::rotate()"

Error{35}> quaternion isn't unit quaternion. Norm: -nan

Abort(-100) on node 35 (rank 35 in comm 0): application called MPI_Abort(MPI_COMM_WORLD, -100) - process 35

Error{0}>

Error{0}> *** User error detected by function "Quaternion::rotate()"

Error{0}> quaternion isn't unit quaternion. Norm: -nan

Error{0}[ppiot@bdwd-0047 anl-prj-alphagun]$

From: Piot, Philippe Regis Guy <ppiot AT anl.gov>
Sent: Wednesday, September 25, 2024 10:59 AM
To: opal AT lists.psi.ch <opal AT lists.psi.ch>
Subject: error: quaternion isn't unit quaternion

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