Dear lammps developers,
I have this line in my input script:
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0 1 0 orient z 0 0 1
the error message about this line is “Expected integer parameter in input script or data file(…/lattice.cpp:165)”, and is the decimal “0.247” incorrect?
Thanks a lot for your help.
Michelle
Yes, those vector components must be integers.
Ray
But I find in the lammps manual that x,y,z values are fractional values (0.0<=x,y,z<1.0) meaning shift the lattice by a fraction of the lattice spacing in each dimension, and this is the screenshot:
I am still confused.
Thank you very much!
Dear lammps developers,
I have this line in my input script:
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0 1 0
orient z 0 0 1the error message about this line is "Expected integer parameter in input
script or data file(../lattice.cpp:165)", and is the decimal "0.247"
incorrect?
i don't get an error message, when i run this line on a latest version
of LAMMPS.
[[email protected]... src]$ ./lmp_mpi
LAMMPS (6 Nov 2015-ICMS)
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0
1 0 orient z 0 0 1
Lattice spacing in x,y,z = 0.995868 0.995868 0.995868
axel.
From the screenshot, it appears there is an ampersand causing havoc in
the offending line, which precipitates the expected response e.g.
[[email protected]... src]$ more log.lammps
LAMMPS (31 Oct 2015)
lattice fcc 4.05 origin 0 0 0.247 orient x 1 0 0 orient y 0
1 0 orient z &0 0 1
ERROR: Expected integer parameter in input script or data file
(../lattice.cpp:165)
Yeah, it’s the ampersand that has caused havoc. I should have been more careful.
Thanks a lot.
Michelle