Hello,
I am performing a simulation of 1200 rigid bodies and each rigid body has 3 beads. Fix rigid is employed on these rigid bodies. This system has been simulated over a wide range of temperatures and I’m getting the following error (ERROR: Insufficient Jacobi rotations for group::omega (…/group.cpp:1724)) at lower temperatures at a random time step (not at the beginning of the simulations). The simulations were more than 50% complete before getting this error. Higher temperature simulations completed with no error. I used the latest stable version of LAMMPS (17 Nov 2016) to simulate these systems. The intra-molecular forces were excluded using neigh_modify molecule group-id command. I couldn’t find anything on the lammps manual regarding this error. Any help is highly appreciated. Thank you.
Venkat
Hello,
I am performing a simulation of 1200 rigid bodies and each rigid body has
3 beads. Fix rigid is employed on these rigid bodies. This system has been
simulated over a wide range of temperatures and I'm getting the following
error (*ERROR: Insufficient Jacobi rotations for group::omega
(../group.cpp:1724)) *at lower temperatures at a random time step (not at
the beginning of the simulations). The simulations were more than 50%
complete before getting this error. Higher temperature simulations
completed with no error. I used the latest stable version of LAMMPS (17 Nov
2016) to simulate these systems. The intra-molecular forces were excluded
using *neigh_modify molecule group-id* command. I couldn't find anything
on the lammps manual regarding this error. Any help is highly appreciated.
Thank you.
i don't see any connection between the function throwing the error message
and fix rigid.
it must be triggered by some other part of your input.
axel.