[lammps-users] LAMMPS09 vs LAMMPS10

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1

Dear Developers and Users,
I have just compiled LAMMPS-JAN10. Now while running I am getting the following error,
ERROR: Expected integer parameter in input script or data file
Though same data file and input file works just fine with the LAMMPS09.Manual doesn’t suggest any such transition.
Here is my log file,if it helps.

LAMMPS (15 Jan 2010)
units real
atom_style full
boundary p p p
dielectric 1
special_bonds lj/coul 0.0 0.0 1.0

pair_style lj/charmm/coul/long/opt 11.0 12.0
bond_style harmonic
angle_style harmonic
dihedral_style charmm
improper_style none
kspace_style pppm 0.0001

read_data data.test
3 = max bonds/atom
3 = max angles/atom
10 = max dihedrals/atom
orthogonal box = (0 0 0) to (44.5374 44.3588 59.2439)
2 by 1 by 2 processor grid
ERROR: Expected integer parameter in input script or data file

Please help me in figuring out this ERROR and get my run going.
Thanks

2

Dear Developers and Users,
I have just compiled LAMMPS-JAN10. Now while running I am getting the following error,
ERROR: Expected integer parameter in input script or data file
Though same data file and input file works just fine with the LAMMPS09.Manual doesn't suggest any such transition.
Here is my log file,if it helps.

not very much. the input file is where the error is.
you provide a floating point number where there should
have been an integer. the old version would have silently
truncated it to an integer, the new version tests it.
so please check your input carefully.

cheers,
axel.

3

This error is often in the dihedral style coeffs - either in your input
script or data file. Some of those are ints and people often
enter them as floating point numbers.

Steve