22:18:46drmeisterIt was a handler that recognized 3 or 4 linear atoms (a problem for non-linear optimization) and that caught the error and tried to shake up the 3 or 4 linear atoms. It doesn't work very well probably because the rest of the structure forces the atoms back into a linear arrangement.
22:19:28drmeisterThere was a potential infinite loop of handling the error and then restarting the calculation and it generating the error again. It would very occasionally knock itself out of that cycle.
22:19:39drmeisterI set it up so it only tries 3 times and then gives up.
22:20:24drmeisterI have an MPI build in apptainer. I'm not sure how to test it though.
23:15:58drmeisterThings are going well now with load balancing.