hi,
When I run meam example in example/meam dir after builded lammps, I got following errors:
[myname@…419… meam]$ lmp_serial < in.meam
LAMMPS (12 Feb 2007)
Reading data file …
orthogonal box = (-6 -6 -6) to (5.97232 5.97232 5.97232)
1 by 1 by 1 processor grid
128 atoms
Setting up run …
Memory usage per processor = 4.5032 Mbytes
Step Temp E_pair E_mol TotEng Press
0 0 -636.93784 0 -636.93784 -278470.97
ERROR: Lost atoms: original 128 current 123
Then I modified “boundary p p p” to “boundary s s s” in in.meam file, I got results with swelling volume
and,
[myname@…419… meam]$ lmp_serial < in.meam.shear
LAMMPS (12 Feb 2007)
Lattice spacing in x,y,z = 3.52 3.52 3.52
Created orthogonal box = (0 0 0) to (56.32 35.2 9.95606)
1 by 1 by 1 processor grid
Lattice spacing in x,y,z = 3.52 4.97803 4.97803
Created 1912 atoms
264 atoms in group lower
264 atoms in group upper
528 atoms in group boundary
1384 atoms in group mobile
Setting atom values …
264 settings made
Setting atom values …
264 settings made
WARNING: Temperature for thermo pressure is not for group all
Setting up run …
Memory usage per processor = 5.90372 Mbytes
Step Temp E_pair E_mol TotEng Press Volume
0 300 -8232.7767 0 -8179.1466 1.205812e+22 19539.346
ERROR: Domain too large for neighbor bins
what’s wrong with my builded lammps? Any reply is appreciated.