Hello All,
I am trying to build a crystal system with 104 basis atoms in the unit cell and LAMMPS is unable to build the crystal as it's giving ERROR that : Input line too long.
In short, LAMMPS bombs out after the 43rd basis atoms. I tried to compact the fractional coordinates as much as possible to no avail.
Is there a hard cap on the number of basis atoms that LAMMPS can allows? How can I resolve this issue.
Suleiman.
Hello All,
I am trying to build a crystal system with 104 basis atoms in the unit cell and LAMMPS is unable to build the crystal as it's giving ERROR that : Input line too long.
In short, LAMMPS bombs out after the 43rd basis atoms. I tried to compact the fractional coordinates as much as possible to no avail.Is there a hard cap on the number of basis atoms that LAMMPS can allows? How can I resolve this issue.
a little bit of research in the mailing list archives does
wonders for cases like this. for example, check out:
axel.
There is a MAXLINE setting hardwired in src/input.cpp. You could change
it and recompile. But why not just write a script in something like Python
to generate the atom coords yourself and paste the result into a data file.
It would probably be nearly as short as the several 1000
character line you are trying to use in an input script.
Steve
Steve,
Axel actually sent me a link to a similar problem. I eventually increase the MAXLINE setting and recompile LAMMPS and it works. Thanks to you guys.
Suleiman.