[lammps-users] help regarding error in msi2lmp

LAMMPS LAMMPS Mailing List Mirror
1

Dear lammps users

I have been trying to generate the input for CNT. I have used msi2lmp to
generate datafile using CVFF force field But i was not able to run the lammps
program using that input. it show me the following error

"LAMMPS (21 Dec 2010)
Scanning data file ...
  3 = max bonds/atom
  3 = max angles/atom
  12 = max dihedrals/atom
  1 = max impropers/atom
Reading data file ...
  orthogonal box = (-4.01646 -1.43342 -7.422) to (24.4219 21.7669 20.5794)
  1 by 1 by 1 processor grid
ERROR: Expected integer parameter in input script or data fil "

with this i have attached the input and datafile for your kind reference

please help me in this regard

Thanks in advance

Regards
Mahesh

test.input (569 Bytes)

66.lammps05 (48.1 KB)

2

If msi2lmp is writing out a 2.0 somewhere
that LAMMPS is expecting an integer 2, then
you will get this error. In this case msi2lmp
needs to be changed to be compatible
with the current LAMMPS. Why don't you see
if you can find/fix this and we will post a patch.
Msi2lmp is not my code, so it would be great
if someone else wants to track this down.

Dihedral and improper coeffs are a good place
to look for the issue.

Steve