lammps version Feb 18, 2011
When using the “temper” command, the log and screen files for each partition is not outputting any data. The main log file is working properly (displaying the temperature running on each partition) but I cannot figure out why the others are not. I would like to see the thermodynamic data. Below is my input script:
variable t world 200.0 205.0 210.0 215.0 220.0 225.0 230.0 235.0 240.0 245.0 250
.0 255.0
variable w world 0 1 2 3 4 5 6 7 8 9 10 11
units real
atom_style angle
pair_style lj/cut 10.0
bond_style harmonic
angle_style cosine/squared
read_data data.RCR
pair_coeff 1 2 0.12 4 4.48
thermo 10000
thermo_style custom step temp evdwl pe ke etotal press
timestep 2.0
fix myfix all langevin $t $t 100.0 688483
fix 2 all nve
dump 1 all custom 100000 T$t.lammpstrj id mol type xu yu zu vx vy vz
restart 1000000 restart.RCR.$t.*
temper 15000000 1000 $t myfix 3847 2000
Thanks,
Ahmad