Hi,
I am getting the following error when I try to minimize a L12 structure using a test meam potential.
The manual says to report it to developers
Here's the log file relating to it
LAMMPS (22 Nov 2010)
Reading data file ...
orthogonal box = (0 0 0) to (19.957 19.957 19.957)
1 by 1 by 1 processor grid
687 atoms
WARNING: Resetting reneighboring criteria during minimization
Setting up minimization ...
Memory usage per processor = 8.27546 Mbytes
Step Atoms PotEng KinEng TotEng Press Volume Lx Ly Lz
0 687 -2921.31402979045 0 -2921.31402979045 16090.53671186875 7948.510860493001 19.957 19.957 19.957
ERROR: Attempt to push beyond stack limit in fix box/relax
301 2 -8.559996281619235 0 -8.559996281619235 1.010868884157054e-05 23.17349148680302 2.850999607777158 2.850999607777158\
2.850999607777158
Loop time of 0.441251 on 1 procs for 300 steps with 2 atoms
Minimization stats:
Stopping criterion = energy tolerance
Energy initial, next-to-last, final =
-5.30307874865 -8.55997461835 -8.55999628162
Force two-norm initial, final = 19.1568 5.53863e-10
Force max component initial, final = 19.1568 5.53863e-10
Final line search alpha, max atom move = 0 0
Iterations, force evaluations = 300 1571
Pair time (\) = 0\.208793 \(47\.3184\)
Neigh time \() = 0 (0)
Comm time (\) = 0\.00894618 \(2\.02746\)
Outpt time \() = 0.214026 (48.5044)
Other time (%) = 0.00948572 (2.14973)
Nlocal: 2 ave 2 max 2 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Nghost: 187 ave 187 max 187 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Neighs: 58 ave 58 max 58 min
Histogram: 1 0 0 0 0 0 0 0 0 0
FullNghs: 116 ave 116 max 116 min
Histogram: 1 0 0 0 0 0 0 0 0 0
Total # of neighbors = 116
Ave neighs/atom = 58
Neighbor list builds = 0
Dangerous builds = 0