I am doing simulations on a system of 3-member linear rigid bodies using fix rigid and the lj/cut/coul/long pair potential. I get the following error during equilibration:
"ERROR: Insufficient Jacobi rotations for rigid body", which means that "Eigensolve for rigid body was not sufficiently accurate."
I checked the configuration of my rigid bodies and they are as they should be (exactly co-linear). I've tried changing MAXJACOBI in fix_rigid.cpp from the original 50 to 100, 200 and 250, but the problem seems to be independent of this value. (I get the error at the same timestep irrespective of the MAXJACOBI value). The other thermodynamic quantities seem normal up until the timestep where I get "nan," so I am not sure what is causing this error.
If anyone has any insights into why the Jacobi routine would fail, please let me know. I appreciate any help!