Error of input too long

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1

Dear all,

I’d like to create a supercell using the lattice custom command. There are 144 basis atoms, so I created a file to store the coordinates of basis atoms, as shown in attached basis.cor. However, when I try to run the input script there is an error: ERROR: Input line too long: lattice custom 3.615 a1 -1 -1 2 a2 1 1 1 a3 -1 1 0 basis … I check the input.cpp and find that the MAXLINE is 2048, far larger than the 144. Below you will find part of the input script, and the basis.cor is also attached. Any suggestions or comments are highly appreciated!

#part of the input script
units metal
boundary p p p

atom_style atomic
include basis.cor
region box block 0 9 0 9 0 9
…

#part of the basis.cor
lattice custom 3.615 a1 -1 -1 2 a2 1 1 1 a3 -1 1 0 &
basis 0 0 0.5 basis 0.125 0 0.25 basis 0.125 0 0.75 &
basis 0 0 0 basis 0.0416667 0.111111 0.25 basis 0.0416667 0.111111 0.75 &
basis 0.166667 0.111111 0.5 basis 0.166667 0.111111 0 basis 0.25 0 0 &
…

Best regards,
Junjie

2

I’m sorry I forgot to attach the basis.cor. So there is.

basis.cor (3.85 KB)

3

You can reset the 2048 to 1000000 if you like,
and re-compile LAMMPS.

Steve

4

Dear all,

I'd like to create a supercell using the lattice custom command. There are
144 basis atoms, so I created a file to store the coordinates of basis
atoms, as shown in attached basis.cor. However, when I try to run the input
script there is an error: ERROR: Input line too long: lattice custom 3.615
a1 -1 -1 2 a2 1 1 1 a3 -1 1 0 basis .... I check the input.cpp and find that
the MAXLINE is 2048, far larger than the 144. Below you will find part of
the input script, and the basis.cor is also attached. Any suggestions or
comments are highly appreciated!

MAXLINE refers to characters and your basis.cor file has a little
under 4,000 characters, and thus more than the default of 2048.

axel.