[lammps-users] Error happens when running NEB

Hi Everyone,

I am now using the NEB package of LAMMPS to run some simulations. The new NEB feature is great and save me a lot of time.

However, I met with an error during the NEB simulation. In particular, I use 32 nodes for a simulation of 32 replicas with around 100000 atoms in each replica. The potential employed is Stillinger-Weber style. After about 400 step

To follow on the last unfinished email:

, error pops up:

Rzv:cannot allocate unexpected buffer from R:1 T:0 C:0
Dumping 16 frames
Frame 0: 0x41b468
Frame 1: 0x41e1f0
Frame 2: 0x4450c0
Frame 3: 0x43cd68
Frame 4: 0x4407f4
Frame 5: 0x456070
Frame 6: 0x42219c
Frame 7: 0x420020
Frame 8: 0x3f83a0
Frame 9: 0x322078
Frame 10: 0x31b130
Frame 11: 0x3290d0
Frame 12: 0x30d7f4
Frame 13: 0x30c9b0
Frame 14: 0x317fa0
Frame 15: 0x200208
Posted Queue:

No idea. That's not a LAMMPS-generated error, rather
from MPI.

Steve