Problem with user-phonon

LAMMPS LAMMPS Mailing List Mirror
1

Hi,
Has anyone encountered difficulty with USER-PHONON. Apparently, I am not able to get it to run. I get the following error message relating to fix command.

using 8 OpenMP thread(s) per MPI task
Scanning data file …
1 = max bonds/atom
Reading data file …
orthogonal box = (0 -1 -0.0001) to (16 1 0.0001)
1 by 1 by 1 MPI processor grid
16 atoms
16 bonds
Finding 1-2 1-3 1-4 neighbors …
2 = max # of 1-2 neighbors
2 = max # of 1-3 neighbors
4 = max # of 1-4 neighbors
6 = max # of special neighbors
ERROR: Invalid fix style (modify.cpp:678)

The input file has the following commands

fix 1 all langevin $t $t $d $r
fix_modify 1 temp MyTemp
fix 2 all setforce NULL 0. 0.
fix 3 all nve
fix 4 all phonon 10 50000 500000 map.in phonon sysdim 1
fix_modify 4 temp MyTemp

thank you,
Sundar

2

Hi,
Has anyone encountered difficulty with USER-PHONON. Apparently, I am not
able to get it to run. I get the following error message relating to fix
command.

  using 8 OpenMP thread(s) per MPI task
Scanning data file ...
  1 = max bonds/atom
Reading data file ...
  orthogonal box = (0 -1 -0.0001) to (16 1 0.0001)
  1 by 1 by 1 MPI processor grid
  16 atoms
  16 bonds
Finding 1-2 1-3 1-4 neighbors ...
  2 = max # of 1-2 neighbors
  2 = max # of 1-3 neighbors
  4 = max # of 1-4 neighbors
  6 = max # of special neighbors
ERROR: Invalid fix style (modify.cpp:678)

this error message means that either you have too old a version of
lammps (impossible to say form here, since you cut off just below the
version string output) or that you didn't install the USER-PHONON
package when compiling it.

axel.