Dear Steve,
I have recently compile the new version of LAMMPS, what i would like to compute is the pressure distribution across the y axis. So i used the compute ave/spatial as described below:
read_restart Cu-AgFinal1.save
pair_style eam
pair_coeff 1 1 cuu3.eam
pair_coeff 2 2 agu3.eam
neigh_modify every 1 delay 1 check yes
compute myTemp all temp
compute 1 all pressure myTemp
fix in all nve
fix 1 all ave/spatial 1 10 y 50 600.0 computePressure.dat compute myTemp units box
run 100
write_restart Cu-AgFinalDebug.save
The error i am getting when i run this is:
LAMMPS (12 Feb 2007)
Reading restart file ...
WARNING: Restart file version does not match LAMMPS version
restart file = 1 Oct 2006, LAMMPS = 12 Feb 2007
WARNING: Resetting unit_style to restart file value
WARNING: Restart file used different # of processors
WARNING: Resetting boundary settings to restart file values
orthogonal box = (0 0 0) to (300 700 100)
1 by 1 by 1 processor grid
1336868 atoms
ERROR: Fix ave/spatial compute does not calculate per-atom info
Is this happening because i am using a restart file of different version of lammps?
Thanks very much in advance.
Nicholas Epiphaniou
MPhill/PhD student
Aerospace Sciences
Fluid Mechanics and Computational Science Group
Cranfield University
School of Engineering
Cranfield,Bedfordshire MK43 0AL
UK
Email: n.epiphaniou@…51… <mailto:n.epiphaniou@…51…>