problems with the cutoff specification in pair_style table

Dear All,

I tried to use a tabulated potential by using the command “pair_style table” in the input file. But somehow LAMMPS does not what to read in the cutoff.

Here is my minimal input script:

I am sorry, I have by mistake sent an unfinished email.

No matter if I specify the cutoff value in the input file or not I always receive the following error when I run the input script:

$ ./lmp_ubuntu < in.nodd.table
LAMMPS (10 Feb 2015)
Reading data file …
orthogonal box = (0 0 0) to (24.56 24.56 160)
1 by 1 by 1 MPI processor grid
reading atoms …
2000 atoms
reading velocities …
2000 velocities
ERROR: Invalid pair table cutoff (…/pair_table.cpp:285)

The data file as well as my tabulated potential are attached.

Thanks in advance for any help!


data.hg.n2000.after.bulkmd (268 KB)

odi296_np221.table (26.8 KB)

I found this using Google:

I guess your table cannot start at r=0 but at some slightly larger value?